6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-pyridinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C27H27N5O4S MolecularWeight: 517.59938

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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=N5

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=N5

InChI

InChI=1S/C27H27N5O4S/c1-2-19-6-9-21(10-7-19)37(35,36)30-20-8-11-24-22(17-20)23(27(33)34)18-26(29-24)32-15-13-31(14-16-32)25-5-3-4-12-28-25/h3-12,17-18,30H,2,13-16H2,1H3,(H,33,34)