5-chloranyl-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-chloro-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 5-chloro-2-[4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid Formula: C14H16ClF3N2O6S2 MolecularWeight: 464.86485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClF3N2O6S2/c15-10-1-2-12(11(7-10)13(21)22)27(23,24)20-5-3-9(4-6-20)8-19-28(25,26)14(16,17)18/h1-2,7,9,19H,3-6,8H2,(H,21,22)