[(1S)-1-cyanoethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: [(1S)-1-cyanoethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid [(1S)-1-cyanoethyl] ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-5-17(6-2)22(19,20)14-9-13(8-7-11(14)3)15(18)21-12(4)10-16/h7-9,12H,5-6H2,1-4H3/t12-/m0/s1