(2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]propionitrile Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)[C@H](C)C#N)C)C(C)(C)C

InChI

InChI=1S/C19H29N3O2S/c1-14-11-17(19(4,5)6)12-15(2)18(14)25(23,24)22-9-7-21(8-10-22)16(3)13-20/h11-12,16H,7-10H2,1-6H3/t16-/m1/s1