[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S/c1-4-25(5-2)31(28,29)17-9-6-14(3)18(11-17)21(27)30-13-20(26)24-16-8-7-15(12-23)19(22)10-16/h6-11H,4-5,13H2,1-3H3,(H,24,26)