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4-[7-(trifluoromethylsulfonyloxy)naphthalen-1-yl]piperazine-1-carboxylic acid

4-[7-(trifluoromethylsulfonyloxy)naphthalen-1-yl]piperazine-1-carboxylic acid

Systemtic Name:4-[7-(trifluoromethylsulfonyloxy)naphthalen-1-yl]piperazine-1-carboxylic acid
Openeye Name:4-[7-(trifluoromethylsulfonyloxy)-1-naphthyl]piperazine-1-carboxylic acid
CAS Name:4-[7-(trifluoromethylsulfonyloxy)-1-naphthalenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[7-(trifluoromethylsulfonyloxy)naphthalen-1-yl]piperazine-1-carboxylic acid
Traditional Name:4-(7-triflyloxy-1-naphthyl)piperazine-1-carboxylic acid
Formula: C16H15F3N2O5S
MolecularWeight: 404.36091
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)O


Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)O


InChI

InChI=1S/C16H15F3N2O5S/c17-16(18,19)27(24,25)26-12-5-4-11-2-1-3-14(13(11)10-12)20-6-8-21(9-7-20)15(22)23/h1-5,10H,6-9H2,(H,22,23)


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