[(1R)-1-cyanoethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-9(7-13)17-12(14)11-5-3-4-10(6-11)8-18(2,15)16/h3-6,9H,8H2,1-2H3/t9-/m1/s1