6-[5-methylsulfonyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[5-methylsulfonyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-(benzenesulfonyl)-5-methylsulfonyl-pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[1-(benzenesulfonyl)-5-methylsulfonyl-2-pyrrolo[2,3-b]pyridinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(benzenesulfonyl)-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-(1-besyl-5-mesyl-pyrrolo[2,3-b]pyridin-2-yl)nicotinic acid Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N3O6S2/c1-30(26,27)16-9-14-10-18(17-8-7-13(11-21-17)20(24)25)23(19(14)22-12-16)31(28,29)15-5-3-2-4-6-15/h2-12H,1H3,(H,24,25)