[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-14-4-9-18(15(2)12-14)19(23)13-27-20(24)16-5-7-17(8-6-16)28(25,26)22-11-3-10-21/h4-9,12,22H,3,11,13H2,1-2H3