(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-piperidin-1-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-piperidin-1-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-piperidylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-piperidinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-piperidin-1-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-piperidinosulfonyl-acrylonitrile Formula: C22H32N2O3S MolecularWeight: 404.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C22H32N2O3S/c1-21(2,3)18-13-16(14-19(20(18)25)22(4,5)6)12-17(15-23)28(26,27)24-10-8-7-9-11-24/h12-14,25H,7-11H2,1-6H3/b17-12+