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

Systemtic Name: 7-[4-(4-chloranylbutylsulfonyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-chlorobutylsulfonyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-chlorobutylsulfonyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-chlorobutylsulfonyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-chlorobutylsulfonyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25ClFN3O5S MolecularWeight: 485.956703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFN3O5S/c22-5-1-2-10-32(30,31)25-8-6-24(7-9-25)19-12-18-15(11-17(19)23)20(27)16(21(28)29)13-26(18)14-3-4-14/h11-14H,1-10H2,(H,28,29)