[(1R)-1-cyanoethyl] 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Openeye Name: [(1R)-1-cyanoethyl] 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid [(1R)-1-cyanoethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OC(C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C20H27N3O5S/c1-14-11-15(2)20(16(3)12-14)29(26,27)23-9-7-22(8-10-23)18(24)5-6-19(25)28-17(4)13-21/h11-12,17H,5-10H2,1-4H3/t17-/m1/s1