5-azanyl-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-pentanoic acid

Systemtic Name: 5-azanyl-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-pentanoic acid Openeye Name: 5-amino-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-pentanoic acid CAS Name: 5-amino-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonylpentanoic acid IUPAC Name: 5-amino-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonylpentanoic acid Traditional Name: 5-amino-2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-valeric acid Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCCN)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(CCCN)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO5S/c19-18(20,21)13-7-9-15(10-8-13)28(25,26)17(16(23)24,11-4-12-22)27-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12,22H2,(H,23,24)