[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H25N3O5S/c1-16-11-17(2)13-19(12-16)25(10-6-9-23)21(26)15-30-22(27)18-7-5-8-20(14-18)31(28,29)24(3)4/h5,7-8,11-14H,6,10,15H2,1-4H3