2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5C)C(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5C)C(=C3)C(=O)O)C

InChI

InChI=1S/C29H30N4O4S/c1-19-8-6-9-26(21(19)3)32-13-15-33(16-14-32)28-18-24(29(34)35)23-17-22(11-12-25(23)30-28)31-38(36,37)27-10-5-4-7-20(27)2/h4-12,17-18,31H,13-16H2,1-3H3,(H,34,35)