4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-2-pyridyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonyl-2-pyridinyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-methylsulfonylpyridin-2-yl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[6-(4-chlorophenyl)-3-cyano-5-mesyl-2-pyridyl]piperazino]-4-keto-butyric acid Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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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)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5S/c1-32(30,31)17-12-15(13-23)21(24-20(17)14-2-4-16(22)5-3-14)26-10-8-25(9-11-26)18(27)6-7-19(28)29/h2-5,12H,6-11H2,1H3,(H,28,29)