2-iodanyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Systemtic Name: 2-iodanyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid Openeye Name: 2-iodo-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid CAS Name: 2-iodo-1-(4-methylphenyl)sulfonyl-4-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylic acid Traditional Name: 2-iodo-1-tosyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid Formula: C15H11IN2O4S MolecularWeight: 442.22831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)O)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)O)I

InChI

InChI=1S/C15H11IN2O4S/c1-9-2-4-10(5-3-9)23(21,22)18-13(16)8-12-11(15(19)20)6-7-17-14(12)18/h2-8H,1H3,(H,19,20)