7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-acetamidophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazino]-1-ethyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H27FN4O7S MolecularWeight: 546.567883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)F)C(=O)O

InChI

InChI=1S/C25H27FN4O7S/c1-4-28-14-19(25(33)34)23(32)18-13-20(26)22(24(37-3)21(18)28)29-9-11-30(12-10-29)38(35,36)17-7-5-16(6-8-17)27-15(2)31/h5-8,13-14H,4,9-12H2,1-3H3,(H,27,31)(H,33,34)