4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]valeric acid Formula: C13H15F3N2O6S MolecularWeight: 384.32821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O6S/c1-7(2)5-9(12(19)20)17-25(23,24)11-4-3-8(13(14,15)16)6-10(11)18(21)22/h3-4,6-7,9,17H,5H2,1-2H3,(H,19,20)