[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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