Calcium (5Z)-7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoate (1:1)

CAS Registry Number®

132747-47-8

CAS Name

Calcium (5Z)-7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoate (1:1)

Molecular Formula

C20H27NO4S.1/2Ca

Cite this Page

Calcium (5Z)-7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=132747-47-8 (retrieved 2024-11-22) (CAS RN: 132747-47-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H27NO4S.Ca/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17;/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23);/b6-1-;/t15-,16+,18+,20+;/m1./s1

InChIKey

InChIKey=NYPRFAXLCNIUHC-GWSYSLRUSA-N

SMILES

N(S(=O)(=O)C1=CC=CC=C1)[C@@H]2[C@@H](C/C=C\CCCC(O)=O)[C@]3(C[C@@]2(CC3)[H])[H].[Ca]

Canonical SMILES

[Ca].O=C(O)CCCC=CCC1C2CCC(C2)C1NS(=O)(=O)C=3C=CC=CC3

Other Names for this Substance

  • 5-Heptenoic acid, 7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, calcium salt (2:1), (5Z)-
  • 5-Heptenoic acid, 7-[3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, calcium salt (2:1), [1R-[1α,2α(Z),3β,4α]]-
  • Calcium (5Z)-7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoate (1:1)
  • S 1452

CAS INSIGHTSTM
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