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

Systemtic Name: 2-(4-ethoxyphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfonyl-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-ethoxyphenyl)sulfonyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-ethoxyphenyl)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-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H32F3N3O4S MolecularWeight: 587.65299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N5CCCCC5

Isomeric SMILES

CCOC1=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/C30H32F3N3O4S/c1-2-40-24-11-13-25(14-12-24)41(38,39)36-20-22-9-5-4-8-21(22)18-28(36)29(37)34-26-19-23(30(31,32)33)10-15-27(26)35-16-6-3-7-17-35/h4-5,8-15,19,28H,2-3,6-7,16-18,20H2,1H3,(H,34,37)