methyl 5-chloranyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-chloranyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 5-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 5-chloro-1-(4-methylphenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 5-chloro-1-tosyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O4S/c1-10-3-5-12(6-4-10)24(21,22)19-9-14(16(20)23-2)13-7-11(17)8-18-15(13)19/h3-9H,1-2H3