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

Systemtic Name: methyl 3-iodanyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylate Openeye Name: methyl 3-iodo-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine-4-carboxylate CAS Name: 3-iodo-1-(4-methylphenyl)sulfonyl-4-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate Traditional Name: 3-iodo-1-tosyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid methyl ester Formula: C16H13IN2O4S MolecularWeight: 456.25489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CN=C32)C(=O)OC)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CN=C32)C(=O)OC)I

InChI

InChI=1S/C16H13IN2O4S/c1-10-3-5-11(6-4-10)24(21,22)19-9-13(17)14-12(16(20)23-2)7-8-18-15(14)19/h3-9H,1-2H3