ethyl 3-iodanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-iodanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-iodo-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 1-(benzenesulfonyl)-3-iodo-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-besyl-3-iodo-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C16H13IN2O4S MolecularWeight: 456.25489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)I

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)I

InChI

InChI=1S/C16H13IN2O4S/c1-2-23-16(20)11-8-13-14(17)10-19(15(13)18-9-11)24(21,22)12-6-4-3-5-7-12/h3-10H,2H2,1H3