N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O4S/c1-18-6-10-21(11-7-18)27-17-19(16-23(27)28)24(29)25-20-8-12-22(13-9-20)32(30,31)26-14-4-2-3-5-15-26/h6-13,19H,2-5,14-17H2,1H3,(H,25,29)