1-cyclopropyl-6-fluoranyl-7-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-naphthylsulfonyl)piperazino]quinoline-3-carboxylic acid Formula: C27H24FN3O5S MolecularWeight: 521.559963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)F)C(=O)O

InChI

InChI=1S/C27H24FN3O5S/c28-23-14-21-24(31(19-6-7-19)16-22(26(21)32)27(33)34)15-25(23)29-9-11-30(12-10-29)37(35,36)20-8-5-17-3-1-2-4-18(17)13-20/h1-5,8,13-16,19H,6-7,9-12H2,(H,33,34)