[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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