[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-14-4-9-19(12-15(14)2)30(27,28)23-11-10-20(25)29-16(3)21(26)24-18-7-5-17(13-22)6-8-18/h4-9,12,16,23H,10-11H2,1-3H3,(H,24,26)