ethyl 2,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-tosyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C16H19NO4S/c1-5-21-16(18)15-10-12(3)17(13(15)4)22(19,20)14-8-6-11(2)7-9-14/h6-10H,5H2,1-4H3