5-methylsulfonyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 5-methylsulfonyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-methylsulfonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-5-methylsulfonyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-methylsulfonylpyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 1-besyl-5-mesyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C15H12N2O6S2 MolecularWeight: 380.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C15H12N2O6S2/c1-24(20,21)12-7-10-8-13(15(18)19)17(14(10)16-9-12)25(22,23)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)