3-[[2-methyl-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-methyl-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-hydroxy-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-hydroxy-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propane-1-sulfonic acid Formula: C14H20F3NO4S MolecularWeight: 355.37311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC(=CC=C1)C(F)(F)F)O)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C(C1=CC(=CC=C1)C(F)(F)F)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H20F3NO4S/c1-13(2,18-7-4-8-23(20,21)22)12(19)10-5-3-6-11(9-10)14(15,16)17/h3,5-6,9,12,18-19H,4,7-8H2,1-2H3,(H,20,21,22)