7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylic acid Openeye Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid CAS Name: 7-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-sulfanilylpiperazino)-2,3-dihydroquinoline-3-carboxylic acid Formula: C23H25FN4O5S MolecularWeight: 488.531803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2CC(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)F)C(=O)O

InChI

InChI=1S/C23H25FN4O5S/c24-19-11-17-20(28(15-3-4-15)13-18(22(17)29)23(30)31)12-21(19)26-7-9-27(10-8-26)34(32,33)16-5-1-14(25)2-6-16/h1-2,5-6,11-12,15,18H,3-4,7-10,13,25H2,(H,30,31)