[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H23N3O5S/c1-15(17-7-4-3-5-8-17)24-20(25)16(2)29-21(26)18-9-11-19(12-10-18)30(27,28)23-14-6-13-22/h3-5,7-12,15-16,23H,6,14H2,1-2H3,(H,24,25)