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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC(C)(C)C)C

InChI

InChI=1S/C21H25ClN2O5S/c1-13-8-14(2)10-16(9-13)23-19(25)12-29-20(26)15-6-7-17(22)18(11-15)30(27,28)24-21(3,4)5/h6-11,24H,12H2,1-5H3,(H,23,25)