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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-[(4-ethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-6-[(4-ethylphenyl)sulfonylamino]cinchoninic acid Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C30H32N4O4S/c1-4-22-7-10-24(11-8-22)39(37,38)32-23-9-12-27-25(18-23)26(30(35)36)19-29(31-27)34-15-13-33(14-16-34)28-17-20(2)5-6-21(28)3/h5-12,17-19,32H,4,13-16H2,1-3H3,(H,35,36)