3-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3,5-dimethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-keto-1H-quinoline-6-sulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H27N3O4S/c1-16-11-17(2)13-18(12-16)26-32(30,31)19-7-8-22-20(14-19)23(28)21(15-25-22)24(29)27-9-5-3-4-6-10-27/h7-8,11-15,26H,3-6,9-10H2,1-2H3,(H,25,28)