[(1S)-1-cyanoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(1S)-1-cyanoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-1-cyanoethyl] 3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2R)-2-methylpiperidino]sulfonylbenzoic acid [(1S)-1-cyanoethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C#N

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C#N

InChI

InChI=1S/C16H20N2O4S/c1-12-6-3-4-9-18(12)23(20,21)15-8-5-7-14(10-15)16(19)22-13(2)11-17/h5,7-8,10,12-13H,3-4,6,9H2,1-2H3/t12-,13+/m1/s1