2-[[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]-5-methyl-benzoic acid Openeye Name: 2-[[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-phenyl-carbamoyl]-5-methyl-benzoic acid CAS Name: 2-[(N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]anilino)-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-[[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-phenylcarbamoyl]-5-methylbenzoic acid Traditional Name: 2-[[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-phenyl-carbamoyl]-5-methyl-benzoic acid Formula: C28H28FN3O6S MolecularWeight: 553.601823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN3O6S/c1-19-8-10-22(23(16-19)28(35)36)27(34)32(21-6-4-3-5-7-21)18-26(33)31-14-12-30(13-15-31)24-11-9-20(29)17-25(24)39(2,37)38/h3-11,16-17H,12-15,18H2,1-2H3,(H,35,36)