[(1R)-1-cyanoethyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid [(1R)-1-cyanoethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H22N2O6S/c1-12(11-18)25-17(20)13-6-8-19(9-7-13)26(21,22)14-4-5-15(23-2)16(10-14)24-3/h4-5,10,12-13H,6-9H2,1-3H3/t12-/m1/s1