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

Systemtic Name: 4-(3-methylsulfonylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-methylsulfonylbenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-methylsulfonylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-methylsulfonylbenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-mesylbenzoyl)-1H-pyrrole-2-carboxylic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H11NO5S/c1-20(18,19)10-4-2-3-8(5-10)12(15)9-6-11(13(16)17)14-7-9/h2-7,14H,1H3,(H,16,17)