2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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