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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5S/c1-10-5-11(2)7-12(6-10)20-16(21)9-25-17(22)14-8-13(26(19,23)24)3-4-15(14)18/h3-8H,9H2,1-2H3,(H,20,21)(H2,19,23,24)