[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)benzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H25ClN2O5S/c1-5-24(6-2)30(27,28)17-9-7-8-16(12-17)21(26)29-13-19(25)23-20-15(4)10-14(3)11-18(20)22/h7-12H,5-6,13H2,1-4H3,(H,23,25)