2-(3-azanyl-4-methyl-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(3-azanyl-4-methyl-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(3-amino-4-methyl-phenyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(3-amino-4-methylphenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(3-amino-4-methylphenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(3-amino-4-methyl-phenyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C28H31FN4O4S MolecularWeight: 538.633543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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)N

Isomeric SMILES

CC1=C(C=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)N

InChI

InChI=1S/C28H31FN4O4S/c1-19-8-9-20(16-23(19)30)17-26(34)31-27(21-6-4-3-5-7-21)28(35)33-14-12-32(13-15-33)24-11-10-22(29)18-25(24)38(2,36)37/h3-11,16,18,27H,12-15,17,30H2,1-2H3,(H,31,34)