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

Systemtic Name: 3-[[1-(4-fluorophenyl)-2-methyl-1-oxidanyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(4-fluorophenyl)-2-hydroxy-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(4-fluorophenyl)-2-hydroxy-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid Formula: C13H20FNO4S MolecularWeight: 305.365603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FNO4S/c1-13(2,15-8-3-9-20(17,18)19)12(16)10-4-6-11(14)7-5-10/h4-7,12,15-16H,3,8-9H2,1-2H3,(H,17,18,19)