[(1R)-1-cyanoethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [(1R)-1-cyanoethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C15H18N2O4S/c1-12(11-16)21-15(18)13-7-3-4-8-14(13)22(19,20)17-9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-10H2,1H3/t12-/m1/s1