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

Systemtic Name: (E)-2-(azepan-1-ylsulfonyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepan-1-ylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1-azepanylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepan-1-ylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepan-1-ylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acrylonitrile Formula: C23H34N2O3S MolecularWeight: 418.59266

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)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C23H34N2O3S/c1-22(2,3)19-14-17(15-20(21(19)26)23(4,5)6)13-18(16-24)29(27,28)25-11-9-7-8-10-12-25/h13-15,26H,7-12H2,1-6H3/b18-13+