3-[(2-methoxyphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-methoxyphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(2-methoxyphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(2-methoxyphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(2-methoxyphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-(o-anisylamino)propane-1-sulfonic acid Formula: C11H17NO4S MolecularWeight: 259.32198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1CNCCCS(=O)(=O)O

InChI

InChI=1S/C11H17NO4S/c1-16-11-6-3-2-5-10(11)9-12-7-4-8-17(13,14)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,13,14,15)