[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H11Cl2N3O5S MolecularWeight: 428.24664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H11Cl2N3O5S/c17-12-4-2-9(5-14(12)27(20,24)25)16(23)26-8-15(22)21-11-3-1-10(7-19)13(18)6-11/h1-6H,8H2,(H,21,22)(H2,20,24,25)