3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(3,4,5-trimethoxybenzyl)amino]propane-1-sulfonic acid Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCCCS(=O)(=O)O

InChI

InChI=1S/C13H21NO6S/c1-18-11-7-10(8-12(19-2)13(11)20-3)9-14-5-4-6-21(15,16)17/h7-8,14H,4-6,9H2,1-3H3,(H,15,16,17)