[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C17H17BrN2O6S MolecularWeight: 457.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O6S/c1-10-3-6-15(25-2)14(7-10)20-16(21)9-26-17(22)12-8-11(27(19,23)24)4-5-13(12)18/h3-8H,9H2,1-2H3,(H,20,21)(H2,19,23,24)