6-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methylpiperazin-1-yl)-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 6-[(2-methylphenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methylpiperazino)-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C

InChI

InChI=1S/C22H24N4O4S/c1-15-5-3-4-6-20(15)31(29,30)24-16-7-8-19-17(13-16)18(22(27)28)14-21(23-19)26-11-9-25(2)10-12-26/h3-8,13-14,24H,9-12H2,1-2H3,(H,27,28)