[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-23(12-6-11-21)19(24)15-28-20(25)17-9-5-10-18(13-17)29(26,27)22-14-16-7-3-2-4-8-16/h2-5,7-10,13,22H,6,12,14-15H2,1H3