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

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C26H26N6O4S MolecularWeight: 518.58744

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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=NC=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=NC=CC=N5

InChI

InChI=1S/C26H26N6O4S/c1-2-18-4-7-20(8-5-18)37(35,36)30-19-6-9-23-21(16-19)22(25(33)34)17-24(29-23)31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3-11,16-17,30H,2,12-15H2,1H3,(H,33,34)