ethyl 1-(phenylsulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(phenylsulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-besyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)C4=CNN=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)C4=CNN=C4

InChI

InChI=1S/C19H16N4O4S/c1-2-27-19(24)13-8-16-17(14-10-21-22-11-14)12-23(18(16)20-9-13)28(25,26)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,21,22)