1-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-pyrrolidinone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(4-tosyl-1,4-diazepane-1-carbonyl)-2-pyrrolidone Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O6S/c1-17-3-6-20(7-4-17)34(30,31)26-10-2-9-25(11-12-26)24(29)18-13-23(28)27(15-18)19-5-8-21-22(14-19)33-16-32-21/h3-8,14,18H,2,9-13,15-16H2,1H3