[(1R)-1-cyanoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C16H20N2O4S/c1-12-7-9-18(10-8-12)23(20,21)15-5-3-14(4-6-15)16(19)22-13(2)11-17/h3-6,12-13H,7-10H2,1-2H3/t13-/m1/s1