1-(4-methylphenyl)-5-oxidanylidene-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-5-oxidanylidene-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(CCN(C4)S(=O)(=O)C5=CC=CC=C5)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(CCN(C4)S(=O)(=O)C5=CC=CC=C5)C=C3

InChI

InChI=1S/C27H27N3O4S/c1-19-7-11-24(12-8-19)30-18-22(16-26(30)31)27(32)28-23-10-9-20-13-14-29(17-21(20)15-23)35(33,34)25-5-3-2-4-6-25/h2-12,15,22H,13-14,16-18H2,1H3,(H,28,32)