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

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfonyl-N-phenyl-benzamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-methylsulfonyl-N-phenyl-benzamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-methylsulfonyl-N-phenylbenzamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylsulfonyl-N-phenylbenzamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-mesyl-N-phenyl-benzamide Formula: C27H28FN3O6S2 MolecularWeight: 573.656123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=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

Isomeric SMILES

CS(=O)(=O)C1=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

InChI

InChI=1S/C27H28FN3O6S2/c1-38(34,35)23-11-8-20(9-12-23)27(33)31(22-6-4-3-5-7-22)19-26(32)30-16-14-29(15-17-30)24-13-10-21(28)18-25(24)39(2,36)37/h3-13,18H,14-17,19H2,1-2H3