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

Systemtic Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazino]cinchoninic acid Formula: C27H25FN4O5S MolecularWeight: 536.574603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F)C(=C3)C(=O)O

InChI

InChI=1S/C27H25FN4O5S/c1-37-21-7-5-20(6-8-21)31-12-14-32(15-13-31)26-17-24(27(33)34)23-16-19(4-11-25(23)29-26)30-38(35,36)22-9-2-18(28)3-10-22/h2-11,16-17,30H,12-15H2,1H3,(H,33,34)