N-(3,4-dimethoxyphenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-besyl-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H24N2O5S/c1-30-22-13-12-19(15-23(22)31-2)25-24(27)21-14-17-8-6-7-9-18(17)16-26(21)32(28,29)20-10-4-3-5-11-20/h3-13,15,21H,14,16H2,1-2H3,(H,25,27)