ethyl 4-[[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-(3-bromoanilino)-2-oxo-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(3-bromoanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromoanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-(3-bromoanilino)-2-keto-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)Br)C)C

InChI

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