[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-methoxybenzoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-methoxy-benzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-13-6-8-15(11-16(13)22)23-19(25)12-30-20(26)14-7-9-17(29-5)18(10-14)31(27,28)24-21(2,3)4/h6-11,24H,12H2,1-5H3,(H,23,25)