1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine

CAS Registry Number®

646456-06-6

CAS Name

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine

Molecular Formula

C22H27ClF3N3O2S

Molecular Mass

489.98

Cite this Page

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=646456-06-6 (retrieved 2024-11-30) (CAS RN: 646456-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27ClF3N3O2S/c1-2-3-4-6-17-7-9-19(10-8-17)32(30,31)29-12-5-11-28(13-14-29)21-20(23)15-18(16-27-21)22(24,25)26/h7-10,15-16H,2-6,11-14H2,1H3

InChIKey

InChIKey=SPCJTLICVCBRFV-UHFFFAOYSA-N

SMILES

ClC1=C(N2CCN(S(=O)(=O)C3=CC=C(CCCCC)C=C3)CCC2)N=CC(C(F)(F)F)=C1

Canonical SMILES

O=S(=O)(C1=CC=C(C=C1)CCCCC)N2CCN(C3=NC=C(C=C3Cl)C(F)(F)F)CCC2

Other Names for this Substance

  • 1H-1,4-Diazepine, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-
  • 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine

CAS INSIGHTSTM
Hourglass and a clock