6-[4-chloranyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]hex-5-ynenitrile

Systemtic Name: 6-[4-chloranyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]hex-5-ynenitrile Openeye Name: 6-[1-(benzenesulfonyl)-4-chloro-pyrrolo[2,3-b]pyridin-2-yl]hex-5-ynenitrile CAS Name: 6-[1-(benzenesulfonyl)-4-chloro-2-pyrrolo[2,3-b]pyridinyl]-5-hexynenitrile IUPAC Name: 6-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]hex-5-ynenitrile Traditional Name: 6-(1-besyl-4-chloro-pyrrolo[2,3-b]pyridin-2-yl)hex-5-ynenitrile Formula: C19H14ClN3O2S MolecularWeight: 383.85136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Cl)C#CCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Cl)C#CCCCC#N

InChI

InChI=1S/C19H14ClN3O2S/c20-18-11-13-22-19-17(18)14-15(8-4-1-2-7-12-21)23(19)26(24,25)16-9-5-3-6-10-16/h3,5-6,9-11,13-14H,1-2,7H2