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

Systemtic Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-acetamidophenyl)sulfonyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25FN4O6S MolecularWeight: 528.552603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H25FN4O6S/c1-15(31)27-16-2-6-18(7-3-16)37(35,36)29-10-8-28(9-11-29)23-13-22-19(12-21(23)26)24(32)20(25(33)34)14-30(22)17-4-5-17/h2-3,6-7,12-14,17H,4-5,8-11H2,1H3,(H,27,31)(H,33,34)