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4-sulfanyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

4-sulfanyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name:4-sulfanyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid
Openeye Name:4-sulfanyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid
CAS Name:4-mercapto-1-[4-(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid
IUPAC Name:4-sulfanyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
Traditional Name:4-mercapto-1-[4-(trifluoromethyl)phenyl]sulfonyl-proline
Formula: C12H12F3NO4S2
MolecularWeight: 355.35319
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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)S


Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)S


InChI

InChI=1S/C12H12F3NO4S2/c13-12(14,15)7-1-3-9(4-2-7)22(19,20)16-6-8(21)5-10(16)11(17)18/h1-4,8,10,21H,5-6H2,(H,17,18)


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