[(1S)-1-cyanoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [(1S)-1-cyanoethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-12(10-17)23-16(20)14-6-8-19(9-7-14)24(21,22)15-4-2-13(11-18)3-5-15/h2-5,12,14H,6-9H2,1H3/t12-/m0/s1