[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-benzoic acid [2-(2-cyanoethylamino)-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)C(=O)OCC(=O)NCCC#N)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)S(=O)(=O)NCC2=CC=CC=C2

InChI

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