[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[allyl-(2-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(2-methoxyphenyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C22H23N3O6S/c1-3-14-25(19-10-4-5-11-20(19)30-2)32(28,29)18-9-6-8-17(15-18)22(27)31-16-21(26)24-13-7-12-23/h3-6,8-11,15H,1,7,13-14,16H2,2H3,(H,24,26)