(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole

CAS Registry Number®

163927-32-0

CAS Name

(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole

Molecular Formula

C13H15N5O3S2

Molecular Mass

353.42

Cite this Page

(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=163927-32-0 (retrieved 2024-11-29) (CAS RN: 163927-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1

InChIKey

InChIKey=YMXYIIXTKUQWPC-VIFPVBQESA-N

SMILES

S(N(C)C)(=O)(=O)C=1C=2C(C(=CC1)N3C[C@@H](N=C=S)CC3)=NON2

Canonical SMILES

O=S(=O)(C1=CC=C(C2=NON=C21)N3CCC(N=C=S)C3)N(C)C

Other Names for this Substance

  • 2,1,3-Benzoxadiazole-4-sulfonamide, 7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-
  • 2,1,3-Benzoxadiazole-4-sulfonamide, 7-(3-isothiocyanato-1-pyrrolidinyl)-N,N-dimethyl-, (S)-
  • 7-[(3S)-3-Isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
  • (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole

CAS INSIGHTSTM
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