methyl 3-[[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromoanilino)-2-oxo-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(4-bromoanilino)-2-keto-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)Br)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)Br)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H17BrN2O5S2/c1-22(11-16(23)21-13-9-7-12(20)8-10-13)29(25,26)18-14-5-3-4-6-15(14)28-17(18)19(24)27-2/h3-10H,11H2,1-2H3,(H,21,23)