[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-methoxyphenyl)sulfonylamino]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H19N3O6S/c1-27-14-7-9-15(10-8-14)29(25,26)22-17-6-3-2-5-16(17)19(24)28-13-18(23)21-12-4-11-20/h2-3,5-10,22H,4,12-13H2,1H3,(H,21,23)