[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C19H21N3O5S/c1-13-11-17(14(2)22(13)3)18(23)12-27-19(24)15-5-7-16(8-6-15)28(25,26)21-10-4-9-20/h5-8,11,21H,4,10,12H2,1-3H3