methyl 1-(4-methylphenyl)sulfonyl-4-propanoyl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-4-propanoyl-pyrrole-2-carboxylate Openeye Name: methyl 4-propanoyl-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-(1-oxopropyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-4-propanoylpyrrole-2-carboxylate Traditional Name: 4-propionyl-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)C1=CN(C(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H17NO5S/c1-4-15(18)12-9-14(16(19)22-3)17(10-12)23(20,21)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3