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

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-(4-ethylpiperazin-1-yl)-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-6-[(3-fluorophenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-(4-ethylpiperazino)-6-[(3-fluorophenyl)sulfonylamino]cinchoninic acid Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

InChI

InChI=1S/C22H23FN4O4S/c1-2-26-8-10-27(11-9-26)21-14-19(22(28)29)18-13-16(6-7-20(18)24-21)25-32(30,31)17-5-3-4-15(23)12-17/h3-7,12-14,25H,2,8-11H2,1H3,(H,28,29)