N-[2-(azepan-1-ylcarbonyl)phenyl]-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-methyl-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(2-ketopyrrolidino)-3-methyl-benzenesulfonamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)N4CCCC4=O

InChI

InChI=1S/C24H29N3O4S/c1-18-17-19(12-13-22(18)27-16-8-11-23(27)28)32(30,31)25-21-10-5-4-9-20(21)24(29)26-14-6-2-3-7-15-26/h4-5,9-10,12-13,17,25H,2-3,6-8,11,14-16H2,1H3