4,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylic acid Openeye Name: 4,5-dimethyl-1-(p-tolylsulfonyl)pyrrole-3-carboxylic acid CAS Name: 4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid IUPAC Name: 4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid Traditional Name: 4,5-dimethyl-1-tosyl-pyrrole-3-carboxylic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C)C)C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-9-4-6-12(7-5-9)20(18,19)15-8-13(14(16)17)10(2)11(15)3/h4-8H,1-3H3,(H,16,17)