[(1R)-1-cyanoethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enoate CAS Name: (E)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(4-tosylpiperazino)but-2-enoic acid [(1R)-1-cyanoethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/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/h3-8,15H,9-12H2,1-2H3/b8-7+/t15-/m1/s1