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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-[4-(2,5-dimethylphenyl)piperazino]cinchoninic acid Formula: C28H28N4O4S MolecularWeight: 516.61132

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

InChI

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