[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-11(15(20)19(3)9-5-8-17)25-16(21)12-6-7-13(24-4)14(10-12)26(22,23)18-2/h6-7,10-11,18H,5,9H2,1-4H3/t11-/m1/s1