7-[4-[1,1-bis(oxidanyl)thiolan-3-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[1,1-bis(oxidanyl)thiolan-3-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1,1-dihydroxythiolan-3-yl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(1,1-dihydroxy-3-thiolanyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(1,1-dihydroxythiolan-3-yl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(1,1-dihydroxythiolan-3-yl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H26FN3O5S MolecularWeight: 451.511643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5CCS(C5)(O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5CCS(C5)(O)O)F)C(=O)O

InChI

InChI=1S/C21H26FN3O5S/c22-17-9-15-18(25(13-1-2-13)11-16(20(15)26)21(27)28)10-19(17)24-6-4-23(5-7-24)14-3-8-31(29,30)12-14/h9-11,13-14,29-30H,1-8,12H2,(H,27,28)