1-[[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-(4-tosyl-1,4-diazepane-1-carbonyl)benzyl]-2-pyrrolidone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C24H29N3O4S/c1-19-8-10-22(11-9-19)32(30,31)27-14-4-13-25(15-16-27)24(29)21-6-2-5-20(17-21)18-26-12-3-7-23(26)28/h2,5-6,8-11,17H,3-4,7,12-16,18H2,1H3