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

Systemtic Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(3-fluorophenyl)sulfonylamino]-2-(4-methylpiperazino)cinchoninic acid Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

InChI

InChI=1S/C21H21FN4O4S/c1-25-7-9-26(10-8-25)20-13-18(21(27)28)17-12-15(5-6-19(17)23-20)24-31(29,30)16-4-2-3-14(22)11-16/h2-6,11-13,24H,7-10H2,1H3,(H,27,28)