3-azanyl-4-[2,2-bis(fluoranyl)-1-adamantyl]butane-1-sulfonic acid

Systemtic Name: 3-azanyl-4-[2,2-bis(fluoranyl)-1-adamantyl]butane-1-sulfonic acid Openeye Name: 3-amino-4-(2,2-difluoro-1-adamantyl)butane-1-sulfonic acid CAS Name: 3-amino-4-(2,2-difluoro-1-adamantyl)-1-butanesulfonic acid IUPAC Name: 3-amino-4-(2,2-difluoro-1-adamantyl)butane-1-sulfonic acid Traditional Name: 3-amino-4-(2,2-difluoro-1-adamantyl)butane-1-sulfonic acid Formula: C14H23F2NO3S MolecularWeight: 323.399126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3(F)F)CC(CCS(=O)(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3(F)F)CC(CCS(=O)(=O)O)N

InChI

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