[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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