N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]-2-(4-methoxyphenyl)acetamide Formula: C28H30FN3O5S MolecularWeight: 539.618303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)F)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)F)S(=O)(=O)C

InChI

InChI=1S/C28H30FN3O5S/c1-37-23-11-8-20(9-12-23)18-26(33)30-27(21-6-4-3-5-7-21)28(34)32-16-14-31(15-17-32)24-13-10-22(29)19-25(24)38(2,35)36/h3-13,19,27H,14-18H2,1-2H3,(H,30,33)