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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C18H16ClN3O5S/c19-14-4-6-16(7-5-14)28(25,26)21-9-8-18(24)27-12-17(23)22-15-3-1-2-13(10-15)11-20/h1-7,10,21H,8-9,12H2,(H,22,23)