N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]isonipecotamide Formula: C30H38N4O5S MolecularWeight: 566.71152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C30H38N4O5S/c1-22-6-10-26(11-7-22)34-21-24(20-28(34)35)30(37)32-18-14-23(15-19-32)29(36)31-25-8-12-27(13-9-25)40(38,39)33-16-4-2-3-5-17-33/h6-13,23-24H,2-5,14-21H2,1H3,(H,31,36)