N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]hexane-1-sulfonamide

Systemtic Name: N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]hexane-1-sulfonamide Openeye Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]hexane-1-sulfonamide CAS Name: N-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]-1-hexanesulfonamide IUPAC Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]hexane-1-sulfonamide Traditional Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]hexane-1-sulfonamide Formula: C23H29F3N4O3S MolecularWeight: 498.56157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H29F3N4O3S/c1-2-3-4-7-16-34(32,33)28-18-10-11-21(27-17-18)29-12-14-30(15-13-29)22(31)19-8-5-6-9-20(19)23(24,25)26/h5-6,8-11,17,28H,2-4,7,12-16H2,1H3