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

Systemtic Name: 1-[2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]-2-pyrrolidone Formula: C23H27N3O4S MolecularWeight: 441.54318

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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=C3N4CCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3N4CCCC4=O

InChI

InChI=1S/C23H27N3O4S/c1-18-9-11-19(12-10-18)31(29,30)25-14-5-13-24(16-17-25)23(28)20-6-2-3-7-21(20)26-15-4-8-22(26)27/h2-3,6-7,9-12H,4-5,8,13-17H2,1H3