(E)-2-(phenylsulfonyl)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pent-4-enenitrile

Systemtic Name: (E)-2-(phenylsulfonyl)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pent-4-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-5-[(2S,3S,4R,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]pent-4-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]-4-pentenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pent-4-enenitrile Traditional Name: (E)-2-besyl-5-[(2S,3S,4R,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]pent-4-enenitrile Formula: C45H45NO7S MolecularWeight: 743.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)C=CCC(C#N)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)/C=C/CC(C#N)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C45H45NO7S/c46-29-40(54(47,48)39-25-14-5-15-26-39)27-16-28-41-43(50-31-36-19-8-2-9-20-36)45(52-33-38-23-12-4-13-24-38)44(51-32-37-21-10-3-11-22-37)42(53-41)34-49-30-35-17-6-1-7-18-35/h1-26,28,40-45H,27,30-34H2/b28-16+/t40?,41-,42+,43-,44+,45+/m0/s1