6-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazino]nicotinonitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C)C)OC

InChI

InChI=1S/C20H24N4O3S/c1-14-11-18(27-4)15(2)16(3)20(14)28(25,26)24-9-7-23(8-10-24)19-6-5-17(12-21)13-22-19/h5-6,11,13H,7-10H2,1-4H3