4,6-dimethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(4-besylpiperazino)-4,6-dimethyl-nicotinonitrile Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H20N4O2S/c1-14-12-15(2)20-18(17(14)13-19)21-8-10-22(11-9-21)25(23,24)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3