[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-2-23(17-9-4-3-5-10-17)29(26,27)18-11-6-8-16(14-18)20(25)28-15-19(24)22-13-7-12-21/h3-6,8-11,14H,2,7,13,15H2,1H3,(H,22,24)