3-(4-methylpiperazin-1-yl)carbonyl-N-(3-methylsulfanylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(4-methylpiperazin-1-yl)carbonyl-N-(3-methylsulfanylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(4-methylpiperazine-1-carbonyl)-N-(3-methylsulfanylphenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-N-[3-(methylthio)phenyl]-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(4-methylpiperazine-1-carbonyl)-N-(3-methylsulfanylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 4-keto-3-(4-methylpiperazine-1-carbonyl)-N-[3-(methylthio)phenyl]-1H-quinoline-6-sulfonamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C22H24N4O4S2/c1-25-8-10-26(11-9-25)22(28)19-14-23-20-7-6-17(13-18(20)21(19)27)32(29,30)24-15-4-3-5-16(12-15)31-2/h3-7,12-14,24H,8-11H2,1-2H3,(H,23,27)