2-methylsulfonyl-2-[5-(phenylcarbonyl)-1H-pyrrol-2-yl]propanedioic acid

Systemtic Name: 2-methylsulfonyl-2-[5-(phenylcarbonyl)-1H-pyrrol-2-yl]propanedioic acid Openeye Name: 2-(5-benzoyl-1H-pyrrol-2-yl)-2-methylsulfonyl-propanedioic acid CAS Name: 2-(5-benzoyl-1H-pyrrol-2-yl)-2-methylsulfonylpropanedioic acid IUPAC Name: 2-(5-benzoyl-1H-pyrrol-2-yl)-2-methylsulfonylpropanedioic acid Traditional Name: 2-(5-benzoyl-1H-pyrrol-2-yl)-2-mesyl-malonic acid Formula: C15H13NO7S MolecularWeight: 351.33122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1=CC=C(N1)C(=O)C2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C(C1=CC=C(N1)C(=O)C2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C15H13NO7S/c1-24(22,23)15(13(18)19,14(20)21)11-8-7-10(16-11)12(17)9-5-3-2-4-6-9/h2-8,16H,1H3,(H,18,19)(H,20,21)