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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-[4-(2,3-dimethylphenyl)piperazino]cinchoninic acid Formula: C28H28N4O4S MolecularWeight: 516.61132

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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=C5)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=C5)C(=C3)C(=O)O)C

InChI

InChI=1S/C28H28N4O4S/c1-19-7-6-10-26(20(19)2)31-13-15-32(16-14-31)27-18-24(28(33)34)23-17-21(11-12-25(23)29-27)30-37(35,36)22-8-4-3-5-9-22/h3-12,17-18,30H,13-16H2,1-2H3,(H,33,34)