Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate

CAS Registry Number®

141109-21-9

CAS Name

Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate

Molecular Formula

C15H16ClNO2S.C10H16O4S

Cite this Page

Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141109-21-9 (retrieved 2024-11-23) (CAS RN: 141109-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H16ClNO2S.C10H16O4S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-7,10,14,17H,8-9H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t14-;7-,10-/m01/s1

InChIKey

InChIKey=JOIKQWIAYDLRQN-QFMNQFBTSA-N

SMILES

[C@@H](NCCC1=CC=CS1)(C(OC)=O)C2=C(Cl)C=CC=C2.C(S(=O)(=O)O)[C@@]12C(C)(C)[C@@](CC1=O)(CC2)[H]

Canonical SMILES

O=C(OC)C(NCCC=1SC=CC1)C=2C=CC=CC2Cl.O=C1CC2CCC1(CS(=O)(=O)O)C2(C)C

Other Names for this Substance

  • Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
  • Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (+)-, (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
  • Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with (+)-methyl 2-chloro-α-[[2-(2-thienyl)ethyl]amino]benzeneacetate (1:1)
  • Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-, compd. with methyl (αS)-2-chloro-α-[[2-(2-thienyl)ethyl]amino]benzeneacetate (1:1)

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