1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylsulfonylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H24FN3O5S MolecularWeight: 485.527863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H24FN3O5S/c25-20-12-18-21(28(17-6-7-17)14-19(23(18)29)24(30)31)13-22(20)26-8-10-27(11-9-26)34(32,33)15-16-4-2-1-3-5-16/h1-5,12-14,17H,6-11,15H2,(H,30,31)