3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-ketopyrrolidino)benzyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4S/c31-26-9-4-15-30(26)24-12-10-20(11-13-24)18-28-27(32)22-7-3-8-25(17-22)35(33,34)29-16-14-21-5-1-2-6-23(21)19-29/h1-3,5-8,10-13,17H,4,9,14-16,18-19H2,(H,28,32)