[(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

InChI

InChI=1S/C16H21N3O4S/c1-12(11-17)23-16(20)14-10-13(24(21,22)18(2)3)6-7-15(14)19-8-4-5-9-19/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m1/s1