3-[(2,5-dimethoxyphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(2,5-dimethoxyphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(2,5-dimethoxyphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(2,5-dimethoxybenzyl)amino]propane-1-sulfonic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO5S/c1-17-11-4-5-12(18-2)10(8-11)9-13-6-3-7-19(14,15)16/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,14,15,16)