(1S,5R,8S,9R)-2-tert-butylsulfonyl-8-methoxy-5-[(1R)-1-oxidanyl-2,2-bis(phenylsulfanyl)ethyl]-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol

Systemtic Name: (1S,5R,8S,9R)-2-tert-butylsulfonyl-8-methoxy-5-[(1R)-1-oxidanyl-2,2-bis(phenylsulfanyl)ethyl]-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol Openeye Name: (1S,5R,8S,9R)-2-tert-butylsulfonyl-5-[(1R)-1-hydroxy-2,2-bis(phenylsulfanyl)ethyl]-8-methoxy-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol CAS Name: (1S,5R,8S,9R)-2-tert-butylsulfonyl-5-[(1R)-1-hydroxy-2,2-bis(phenylthio)ethyl]-8-methoxy-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol IUPAC Name: (1S,5R,8S,9R)-2-tert-butylsulfonyl-5-[(1R)-1-hydroxy-2,2-bis(phenylsulfanyl)ethyl]-8-methoxy-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol Traditional Name: (1S,5R,8S,9R)-2-tert-butylsulfonyl-5-[(1R)-1-hydroxy-2,2-bis(phenylthio)ethyl]-8-methoxy-6-oxa-2-azabicyclo[3.3.1]nonan-9-ol Formula: C26H35NO6S3 MolecularWeight: 553.7542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)N1CCC2(C(C1C(CO2)OC)O)C(C(SC3=CC=CC=C3)SC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)N1CC[C@@]2([C@@H]([C@H]1[C@@H](CO2)OC)O)[C@H](C(SC3=CC=CC=C3)SC4=CC=CC=C4)O

InChI

InChI=1S/C26H35NO6S3/c1-25(2,3)36(30,31)27-16-15-26(22(28)21(27)20(32-4)17-33-26)23(29)24(34-18-11-7-5-8-12-18)35-19-13-9-6-10-14-19/h5-14,20-24,28-29H,15-17H2,1-4H3/t20-,21-,22-,23+,26-/m1/s1