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

Systemtic Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-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=C(C=C4)F)C(=C2)C(=O)O

Isomeric SMILES

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

InChI

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