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

Systemtic Name: 3-[[1-(3-fluorophenyl)-1-methoxy-2-methyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(3-fluorophenyl)-2-methoxy-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-(3-fluorophenyl)-1-methoxy-2-methylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-(3-fluorophenyl)-1-methoxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(3-fluorophenyl)-2-methoxy-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid Formula: C14H22FNO4S MolecularWeight: 319.392183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FNO4S/c1-14(2,16-8-5-9-21(17,18)19)13(20-3)11-6-4-7-12(15)10-11/h4,6-7,10,13,16H,5,8-9H2,1-3H3,(H,17,18,19)