2,5-dimethyl-1-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(4-methylsulfonylphenyl)-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid Traditional Name: 1-(4-mesylphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)C)C)C(=O)O

InChI

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