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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-fluorophenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-fluorophenyl)-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4-keto-1H-quinoline-6-sulfonamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O4S/c23-18-7-3-4-8-20(18)25-31(29,30)15-9-10-19-16(13-15)21(27)17(14-24-19)22(28)26-11-5-1-2-6-12-26/h3-4,7-10,13-14,25H,1-2,5-6,11-12H2,(H,24,27)