N-(2-methylphenyl)-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(o-tolyl)-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepane-1-carbonyl]-N-(o-tolyl)benzenesulfonamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H32N4O4S/c1-20-7-2-3-8-23(20)26-34(32,33)22-11-9-21(10-12-22)25(31)29-16-6-13-27(17-18-29)19-24(30)28-14-4-5-15-28/h2-3,7-12,26H,4-6,13-19H2,1H3