[(1R)-1-cyanoethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-cyanoethyl] 4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanoate CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(4-tosylpiperazino)butyric acid [(1R)-1-cyanoethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-14-3-5-16(6-4-14)27(24,25)21-11-9-20(10-12-21)17(22)7-8-18(23)26-15(2)13-19/h3-6,15H,7-12H2,1-2H3/t15-/m1/s1