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

Systemtic Name: 1-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]-2-pyrrolidone Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

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