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

Systemtic Name: 2-cyano-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide Openeye Name: 2-cyano-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-benzamide CAS Name: 2-cyano-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-phenylbenzamide IUPAC Name: 2-cyano-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide Traditional Name: 2-cyano-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-phenyl-benzamide Formula: C27H25FN4O4S MolecularWeight: 520.575203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H25FN4O4S/c1-37(35,36)25-17-21(28)11-12-24(25)30-13-15-31(16-14-30)26(33)19-32(22-8-3-2-4-9-22)27(34)23-10-6-5-7-20(23)18-29/h2-12,17H,13-16,19H2,1H3