2-(2-azanyl-6-cyano-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(2-azanyl-6-cyano-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(2-amino-6-cyano-phenyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(2-amino-6-cyanophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(2-amino-6-cyanophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(2-amino-6-cyano-phenyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C28H28FN5O4S MolecularWeight: 549.616423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=C(C=CC=C4N)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=C(C=CC=C4N)C#N

InChI

InChI=1S/C28H28FN5O4S/c1-39(37,38)25-16-21(29)10-11-24(25)33-12-14-34(15-13-33)28(36)27(19-6-3-2-4-7-19)32-26(35)17-22-20(18-30)8-5-9-23(22)31/h2-11,16,27H,12-15,17,31H2,1H3,(H,32,35)