3-[2-[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-bis(phenylmethoxy)-5-(pyridin-2-ylmethoxy)oxan-2-yl]oxyethyl]-1-(phenylsulfonyl)indole

Systemtic Name: 3-[2-[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-bis(phenylmethoxy)-5-(pyridin-2-ylmethoxy)oxan-2-yl]oxyethyl]-1-(phenylsulfonyl)indole Openeye Name: 3-[2-[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-dibenzyloxy-5-(2-pyridylmethoxy)tetrahydropyran-2-yl]oxyethyl]-1-(benzenesulfonyl)indole CAS Name: 3-[2-[[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-bis(phenylmethoxy)-5-(2-pyridinylmethoxy)-2-oxanyl]oxy]ethyl]-1-(benzenesulfonyl)indole IUPAC Name: 3-[2-[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-bis(phenylmethoxy)-5-(pyridin-2-ylmethoxy)oxan-2-yl]oxyethyl]-1-(benzenesulfonyl)indole Traditional Name: 3-[2-[(2R,3R,4S,5R,6R)-6-(5-azidopentoxymethyl)-3,4-dibenzoxy-5-(2-pyridylmethoxy)tetrahydropyran-2-yl]oxyethyl]-1-besyl-indole Formula: C47H51N5O8S MolecularWeight: 846.00154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(OC(C2OCC3=CC=CC=C3)OCCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)COCCCCCN=[N+]=[N-])OCC7=CC=CC=N7

Isomeric SMILES

C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OCC3=CC=CC=C3)OCCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)COCCCCCN=[N+]=[N-])OCC7=CC=CC=N7

InChI

InChI=1S/C47H51N5O8S/c48-51-50-28-14-4-16-29-55-35-43-44(59-34-39-21-13-15-27-49-39)45(57-32-36-17-5-1-6-18-36)46(58-33-37-19-7-2-8-20-37)47(60-43)56-30-26-38-31-52(42-25-12-11-24-41(38)42)61(53,54)40-22-9-3-10-23-40/h1-3,5-13,15,17-25,27,31,43-47H,4,14,16,26,28-30,32-35H2/t43-,44-,45+,46-,47-/m1/s1