N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluoranylphenoxy)ethyl]adamantane-1-sulfinamide

Systemtic Name: N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluoranylphenoxy)ethyl]adamantane-1-sulfinamide Openeye Name: N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluorophenoxy)ethyl]adamantane-1-sulfinamide CAS Name: N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluorophenoxy)ethyl]-1-adamantanesulfinamide IUPAC Name: N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluorophenoxy)ethyl]adamantane-1-sulfinamide Traditional Name: N-[(R)-1-adamantylsulfinyl]-N-[2-(4-fluorophenoxy)ethyl]adamantane-1-sulfinamide Formula: C28H38FNO3S2 MolecularWeight: 519.734623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)S(=O)N(CCOC4=CC=C(C=C4)F)S(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[S@@](=O)N(CCOC4=CC=C(C=C4)F)[S@](=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H38FNO3S2/c29-25-1-3-26(4-2-25)33-6-5-30(34(31)27-13-19-7-20(14-27)9-21(8-19)15-27)35(32)28-16-22-10-23(17-28)12-24(11-22)18-28/h1-4,19-24H,5-18H2/t19?,20?,21?,22?,23?,24?,27?,28?,34-,35-/m1/s1