3-(azepan-1-ylcarbonyl)-N-(2-methylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-methylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(o-tolyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-methylphenyl)-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-methylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-keto-N-(o-tolyl)-1H-quinoline-6-sulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-16-8-4-5-9-20(16)25-31(29,30)17-10-11-21-18(14-17)22(27)19(15-24-21)23(28)26-12-6-2-3-7-13-26/h4-5,8-11,14-15,25H,2-3,6-7,12-13H2,1H3,(H,24,27)