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

Systemtic Name: 1-[(4-fluoranyl-3,5-dimethoxy-phenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(4-fluoro-3,5-dimethoxy-anilino)propane-1-sulfonic acid CAS Name: 1-(4-fluoro-3,5-dimethoxyanilino)-1-propanesulfonic acid IUPAC Name: 1-(4-fluoro-3,5-dimethoxyanilino)propane-1-sulfonic acid Traditional Name: 1-(4-fluoro-3,5-dimethoxy-anilino)propane-1-sulfonic acid Formula: C11H16FNO5S MolecularWeight: 293.311843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC(=C(C(=C1)OC)F)OC)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC(=C(C(=C1)OC)F)OC)S(=O)(=O)O

InChI

InChI=1S/C11H16FNO5S/c1-4-10(19(14,15)16)13-7-5-8(17-2)11(12)9(6-7)18-3/h5-6,10,13H,4H2,1-3H3,(H,14,15,16)