3-[[1-(4-fluorophenyl)-2-methyl-propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-(4-fluorophenyl)-2-methyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid Formula: C13H20FNO3S MolecularWeight: 289.366203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)F)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)F)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H20FNO3S/c1-13(2,15-8-3-9-19(16,17)18)10-11-4-6-12(14)7-5-11/h4-7,15H,3,8-10H2,1-2H3,(H,16,17,18)