2-[[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]benzoic acid Openeye Name: 2-[[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-phenyl-carbamoyl]benzoic acid CAS Name: 2-[(N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]anilino)-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-phenylcarbamoyl]benzoic acid Traditional Name: 2-[[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-phenyl-carbamoyl]benzoic acid Formula: C27H26FN3O6S MolecularWeight: 539.575243

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H26FN3O6S/c1-38(36,37)24-17-19(28)11-12-23(24)29-13-15-30(16-14-29)25(32)18-31(20-7-3-2-4-8-20)26(33)21-9-5-6-10-22(21)27(34)35/h2-12,17H,13-16,18H2,1H3,(H,34,35)