methyl 4-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O5S/c1-11-7-12(5-6-14(11)18)19-16(22)10-21(3)27(24,25)13-8-15(17(23)26-4)20(2)9-13/h5-9H,10H2,1-4H3,(H,19,22)