[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-22(2)28(25,26)16-9-14(7-8-15(16)19)21-17(23)11-27-18(24)13-5-3-12(10-20)4-6-13/h3-9H,11H2,1-2H3,(H,21,23)