1-[ethyl-(4-fluoranyl-3,5-dimethoxy-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[ethyl-(4-fluoranyl-3,5-dimethoxy-phenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(N-ethyl-4-fluoro-3,5-dimethoxy-anilino)propane-1-sulfonic acid CAS Name: 1-(N-ethyl-4-fluoro-3,5-dimethoxyanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-ethyl-4-fluoro-3,5-dimethoxyanilino)propane-1-sulfonic acid Traditional Name: 1-(N-ethyl-4-fluoro-3,5-dimethoxy-anilino)propane-1-sulfonic acid Formula: C13H20FNO5S MolecularWeight: 321.365003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC(=C(C(=C1)OC)F)OC)S(=O)(=O)O

Isomeric SMILES

CCC(N(CC)C1=CC(=C(C(=C1)OC)F)OC)S(=O)(=O)O

InChI

InChI=1S/C13H20FNO5S/c1-5-12(21(16,17)18)15(6-2)9-7-10(19-3)13(14)11(8-9)20-4/h7-8,12H,5-6H2,1-4H3,(H,16,17,18)