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

Systemtic Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C24H21FN6O4S MolecularWeight: 508.524743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=C2)C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=C2)C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C24H21FN6O4S/c25-16-2-5-18(6-3-16)36(34,35)29-17-4-7-21-19(14-17)20(23(32)33)15-22(28-21)30-10-12-31(13-11-30)24-26-8-1-9-27-24/h1-9,14-15,29H,10-13H2,(H,32,33)