6-[(3-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(3-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=CC(=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=CC(=C4)F)C(=C2)C(=O)O)C5=NC=CC=N5

InChI

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