(E)-1-cyano-2-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-N-(phenylmethyl)ethenesulfonamide

Systemtic Name: (E)-1-cyano-2-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-N-(phenylmethyl)ethenesulfonamide Openeye Name: (E)-N-benzyl-1-cyano-2-(4-hydroxy-3,5-diisopropyl-phenyl)ethenesulfonamide CAS Name: (E)-1-cyano-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(phenylmethyl)ethenesulfonamide IUPAC Name: (E)-N-benzyl-1-cyano-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethenesulfonamide Traditional Name: (E)-N-benzyl-1-cyano-2-(4-hydroxy-3,5-diisopropyl-phenyl)ethenesulfonamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-15(2)20-11-18(12-21(16(3)4)22(20)25)10-19(13-23)28(26,27)24-14-17-8-6-5-7-9-17/h5-12,15-16,24-25H,14H2,1-4H3/b19-10+