1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarboxylic acid CAS Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarboxylic acid Formula: C14H15F3N2O6S MolecularWeight: 396.33891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15F3N2O6S/c15-14(16,17)9-4-5-11(10(8-9)19(22)23)26(24,25)18-13(12(20)21)6-2-1-3-7-13/h4-5,8,18H,1-3,6-7H2,(H,20,21)