[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-22(2)29(26,27)18-11-6-8-16(14-18)20(25)28-15-19(24)23(13-7-12-21)17-9-4-3-5-10-17/h3-6,8-11,14H,7,13,15H2,1-2H3