methyl 5-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 5-bromo-1-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Traditional Name: 5-bromo-1-tosyl-pyrrole-3-carboxylic acid methyl ester Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2Br)C(=O)OC

InChI

InChI=1S/C13H12BrNO4S/c1-9-3-5-11(6-4-9)20(17,18)15-8-10(7-12(15)14)13(16)19-2/h3-8H,1-2H3