1-methyl-4-(3-methylsulfonylphenyl)carbonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-(3-methylsulfonylphenyl)carbonyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(3-methylsulfonylbenzoyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[(3-methylsulfonylphenyl)-oxomethyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(3-methylsulfonylbenzoyl)pyrrole-2-carboxylic acid Traditional Name: 4-(3-mesylbenzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H13NO5S/c1-15-8-10(7-12(15)14(17)18)13(16)9-4-3-5-11(6-9)21(2,19)20/h3-8H,1-2H3,(H,17,18)