[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2,5-dimethylanilino)-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=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C)Cl

Isomeric SMILES

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

InChI

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