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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5S/c19-14-4-6-16(7-5-14)27(24,25)9-8-18(23)26-12-17(22)21-15-3-1-2-13(10-15)11-20/h1-7,10H,8-9,12H2,(H,21,22)