(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-morpholin-4-ylcarbonylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-morpholin-4-ylcarbonylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[3-(morpholine-4-carbonyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[3-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[3-(morpholine-4-carbonyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[3-(morpholine-4-carbonyl)phenyl]sulfonyl-acrylonitrile Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C28H34N2O5S/c1-27(2,3)23-15-19(16-24(25(23)31)28(4,5)6)14-22(18-29)36(33,34)21-9-7-8-20(17-21)26(32)30-10-12-35-13-11-30/h7-9,14-17,31H,10-13H2,1-6H3/b22-14+