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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: 5-oxo-1-phenyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: 5-keto-1-phenyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrrolidine-3-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CC(=O)N(C4)C5=CC=CC=C5

InChI

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