2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(p-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-6-[(4-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-6-(tosylamino)cinchoninic acid Formula: C27H25FN4O4S MolecularWeight: 520.575203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O4S/c1-18-2-9-22(10-3-18)37(35,36)30-20-6-11-25-23(16-20)24(27(33)34)17-26(29-25)32-14-12-31(13-15-32)21-7-4-19(28)5-8-21/h2-11,16-17,30H,12-15H2,1H3,(H,33,34)