3-[1-(2,6-dimethylphenoxy)propan-2-ylamino]propane-1-sulfonic acid

Systemtic Name: 3-[1-(2,6-dimethylphenoxy)propan-2-ylamino]propane-1-sulfonic acid Openeye Name: 3-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-1-propanesulfonic acid IUPAC Name: 3-[1-(2,6-dimethylphenoxy)propan-2-ylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]amino]propane-1-sulfonic acid Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C)NCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(C)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H23NO4S/c1-11-6-4-7-12(2)14(11)19-10-13(3)15-8-5-9-20(16,17)18/h4,6-7,13,15H,5,8-10H2,1-3H3,(H,16,17,18)