[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-(m-tolylsulfonylamino)propanoate CAS Name: 3-[(3-methylphenyl)sulfonylamino]propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-[(3-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(m-tolylsulfonylamino)propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H19N3O5S/c1-14-3-2-4-17(11-14)28(25,26)21-10-9-19(24)27-13-18(23)22-16-7-5-15(12-20)6-8-16/h2-8,11,21H,9-10,13H2,1H3,(H,22,23)