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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2-morpholin-4-ylcarbonylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(morpholine-4-carbonyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(morpholine-4-carbonyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(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=C2C(=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=C2C(=O)N3CCOCC3

InChI

InChI=1S/C28H34N2O5S/c1-27(2,3)22-16-19(17-23(25(22)31)28(4,5)6)15-20(18-29)36(33,34)24-10-8-7-9-21(24)26(32)30-11-13-35-14-12-30/h7-10,15-17,31H,11-14H2,1-6H3/b20-15+