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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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