1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-4-methoxy-6-oxidanylidene-5-piperidin-1-yl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-4-methoxy-6-oxidanylidene-5-piperidin-1-yl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-methoxy-6-oxo-5-(1-piperidyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-methoxy-6-oxo-5-(1-piperidinyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-methoxy-6-oxo-5-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[2-fluoro-4-(2-mesylphenyl)phenyl]-6-keto-4-methoxy-5-piperidino-cyclohexa-2,4-diene-1-carboxylic acid Formula: C26H26FNO6S MolecularWeight: 499.551143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(C=C1)(C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C(=O)O)N4CCCCC4

Isomeric SMILES

COC1=C(C(=O)C(C=C1)(C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C(=O)O)N4CCCCC4

InChI

InChI=1S/C26H26FNO6S/c1-34-21-12-13-26(25(30)31,24(29)23(21)28-14-6-3-7-15-28)19-11-10-17(16-20(19)27)18-8-4-5-9-22(18)35(2,32)33/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,30,31)