2-(hydroxymethyl)-2-[4-(phenylsulfonylmethyl)-4H-pyridin-1-yl]propanedinitrile

Systemtic Name: 2-(hydroxymethyl)-2-[4-(phenylsulfonylmethyl)-4H-pyridin-1-yl]propanedinitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-4H-pyridin-1-yl]-2-(hydroxymethyl)propanedinitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-4H-pyridin-1-yl]-2-(hydroxymethyl)propanedinitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-4H-pyridin-1-yl]-2-(hydroxymethyl)propanedinitrile Traditional Name: 2-[4-(besylmethyl)-4H-pyridin-1-yl]-2-methylol-malononitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2C=CN(C=C2)C(CO)(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2C=CN(C=C2)C(CO)(C#N)C#N

InChI

InChI=1S/C16H15N3O3S/c17-11-16(12-18,13-20)19-8-6-14(7-9-19)10-23(21,22)15-4-2-1-3-5-15/h1-9,14,20H,10,13H2