2-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-piperidino-5-(trifluoromethyl)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H30F3N3O3S MolecularWeight: 557.62701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N5CCCCC5

InChI

InChI=1S/C29H30F3N3O3S/c1-20-9-12-24(13-10-20)39(37,38)35-19-22-8-4-3-7-21(22)17-27(35)28(36)33-25-18-23(29(30,31)32)11-14-26(25)34-15-5-2-6-16-34/h3-4,7-14,18,27H,2,5-6,15-17,19H2,1H3,(H,33,36)