1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-mesitylsulfonylpiperazino)quinoline-3-carboxylic acid Formula: C26H28FN3O5S MolecularWeight: 513.581023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)C

InChI

InChI=1S/C26H28FN3O5S/c1-15-10-16(2)25(17(3)11-15)36(34,35)29-8-6-28(7-9-29)23-13-22-19(12-21(23)27)24(31)20(26(32)33)14-30(22)18-4-5-18/h10-14,18H,4-9H2,1-3H3,(H,32,33)