2-[2-azanyl-4-(trifluoromethyl)phenoxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenoxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenoxy]-5-(1,1-dimethylpropyl)benzenesulfonic acid CAS Name: 2-[2-amino-4-(trifluoromethyl)phenoxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenoxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid Traditional Name: 2-[2-amino-4-(trifluoromethyl)phenoxy]-5-tert-amyl-besylic acid Formula: C18H20F3NO4S MolecularWeight: 403.41591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N)S(=O)(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N)S(=O)(=O)O

InChI

InChI=1S/C18H20F3NO4S/c1-4-17(2,3)11-5-8-15(16(10-11)27(23,24)25)26-14-7-6-12(9-13(14)22)18(19,20)21/h5-10H,4,22H2,1-3H3,(H,23,24,25)