3-[1-(phenylmethyl)piperidin-4-yl]imino-2-pyridin-2-ylsulfonyl-propanenitrile

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]imino-2-pyridin-2-ylsulfonyl-propanenitrile Openeye Name: 3-[(1-benzyl-4-piperidyl)imino]-2-(2-pyridylsulfonyl)propanenitrile CAS Name: 3-[[1-(phenylmethyl)-4-piperidinyl]imino]-2-(2-pyridinylsulfonyl)propanenitrile IUPAC Name: 3-(1-benzylpiperidin-4-yl)imino-2-pyridin-2-ylsulfonylpropanenitrile Traditional Name: 3-[(1-benzyl-4-piperidyl)imino]-2-(2-pyridylsulfonyl)propionitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=CC(C#N)S(=O)(=O)C2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1N=CC(C#N)S(=O)(=O)C2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c21-14-19(27(25,26)20-8-4-5-11-22-20)15-23-18-9-12-24(13-10-18)16-17-6-2-1-3-7-17/h1-8,11,15,18-19H,9-10,12-13,16H2