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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyrrolidin-1-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrrolidin-1-ylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-pyrrolidinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pyrrolidin-1-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrrolidinosulfonyl-acrylonitrile Formula: C21H30N2O3S MolecularWeight: 390.5395

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)N2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)N2CCCC2

InChI

InChI=1S/C21H30N2O3S/c1-20(2,3)17-12-15(13-18(19(17)24)21(4,5)6)11-16(14-22)27(25,26)23-9-7-8-10-23/h11-13,24H,7-10H2,1-6H3/b16-11+