[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-10-5-4-6-11(2)16(10)21-17(22)12(3)26-18(23)13-7-8-14(19)15(9-13)27(20,24)25/h4-9,12H,1-3H3,(H,21,22)(H2,20,24,25)