2-azanyl-5-cyano-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide

Systemtic Name: 2-azanyl-5-cyano-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide Openeye Name: 2-amino-5-cyano-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-benzamide CAS Name: 2-amino-5-cyano-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-phenylbenzamide IUPAC Name: 2-amino-5-cyano-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide Traditional Name: 2-amino-5-cyano-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-phenyl-benzamide Formula: C27H26FN5O4S MolecularWeight: 535.589843

Click to see the large picture

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=C(C=CC(=C4)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN5O4S/c1-38(36,37)25-16-20(28)8-10-24(25)31-11-13-32(14-12-31)26(34)18-33(21-5-3-2-4-6-21)27(35)22-15-19(17-29)7-9-23(22)30/h2-10,15-16H,11-14,18,30H2,1H3