3-[(4-methoxy-2-methyl-phenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-methoxy-2-methyl-phenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(4-methoxy-2-methyl-phenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(4-methoxy-2-methylphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-methoxy-2-methylphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-methoxy-2-methyl-benzyl)amino]propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)CNCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC)CNCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S/c1-10-8-12(17-2)5-4-11(10)9-13-6-3-7-18(14,15)16/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,14,15,16)