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

Systemtic Name: 2-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperazino]benzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C)C)OC

InChI

InChI=1S/C21H25N3O3S/c1-15-13-20(27-4)16(2)17(3)21(15)28(25,26)24-11-9-23(10-12-24)19-8-6-5-7-18(19)14-22/h5-8,13H,9-12H2,1-4H3