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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3-methylsulfanylphenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[3-(methylthio)phenyl]-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3-methylsulfanylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-keto-N-[3-(methylthio)phenyl]-1H-quinoline-6-sulfonamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S2/c1-31-17-8-6-7-16(13-17)25-32(29,30)18-9-10-21-19(14-18)22(27)20(15-24-21)23(28)26-11-4-2-3-5-12-26/h6-10,13-15,25H,2-5,11-12H2,1H3,(H,24,27)