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2-(aminomethyl)-3-[2,2-bis(fluoranyl)-1-adamantyl]propane-1-sulfonic acid

2-(aminomethyl)-3-[2,2-bis(fluoranyl)-1-adamantyl]propane-1-sulfonic acid

Systemtic Name:2-(aminomethyl)-3-[2,2-bis(fluoranyl)-1-adamantyl]propane-1-sulfonic acid
Openeye Name:2-(aminomethyl)-3-(2,2-difluoro-1-adamantyl)propane-1-sulfonic acid
CAS Name:2-(aminomethyl)-3-(2,2-difluoro-1-adamantyl)-1-propanesulfonic acid
IUPAC Name:2-(aminomethyl)-3-(2,2-difluoro-1-adamantyl)propane-1-sulfonic acid
Traditional Name:2-(aminomethyl)-3-(2,2-difluoro-1-adamantyl)propane-1-sulfonic acid
Formula: C14H23F2NO3S
MolecularWeight: 323.399126
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3(F)F)CC(CN)CS(=O)(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3(F)F)CC(CN)CS(=O)(=O)O


InChI

InChI=1S/C14H23F2NO3S/c15-14(16)12-2-9-1-10(3-12)5-13(14,4-9)6-11(7-17)8-21(18,19)20/h9-12H,1-8,17H2,(H,18,19,20)


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