[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H21N3O5S/c1-14-4-9-17(29(26,27)23(2)3)12-18(14)20(25)28-13-19(24)22-16-7-5-15(6-8-16)10-11-21/h4-9,12H,10,13H2,1-3H3,(H,22,24)