4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-N-phenethyl-butanamide

Systemtic Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-N-phenethyl-butanamide Openeye Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-2-pyridyl]piperazin-1-yl]-4-oxo-N-phenethyl-butanamide CAS Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-2-pyridinyl]-1-piperazinyl]-4-oxo-N-phenethylbutanamide IUPAC Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonylpyridin-2-yl]piperazin-1-yl]-4-oxo-N-phenethylbutanamide Traditional Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-mesyl-2-pyridyl]piperazino]-4-keto-N-phenethyl-butyramide Formula: C29H30ClN5O4S MolecularWeight: 580.0976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)CCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)CCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H30ClN5O4S/c1-40(38,39)25-19-23(20-31)29(33-28(25)22-7-9-24(30)10-8-22)35-17-15-34(16-18-35)27(37)12-11-26(36)32-14-13-21-5-3-2-4-6-21/h2-10,19H,11-18H2,1H3,(H,32,36)