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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-[(4-ethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,3-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=CC=CC(=C5C)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=CC=CC(=C5C)C

InChI

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