3-[ethyl-(4-fluoranyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[ethyl-(4-fluoranyl-3,5-dimethoxy-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(N-ethyl-4-fluoro-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(N-ethyl-4-fluoro-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(N-ethyl-4-fluoro-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(N-ethyl-4-fluoro-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C13H20FNO6S MolecularWeight: 337.364403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)O)O)C1=CC(=C(C(=C1)OC)F)OC

Isomeric SMILES

CCN(CC(CS(=O)(=O)O)O)C1=CC(=C(C(=C1)OC)F)OC

InChI

InChI=1S/C13H20FNO6S/c1-4-15(7-10(16)8-22(17,18)19)9-5-11(20-2)13(14)12(6-9)21-3/h5-6,10,16H,4,7-8H2,1-3H3,(H,17,18,19)