3-[(2-methyl-2-phenoxy-propanoyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-methyl-2-phenoxy-propanoyl)amino]propane-1-sulfonic acid Openeye Name: 3-[(2-methyl-2-phenoxy-propanoyl)amino]propane-1-sulfonic acid CAS Name: 3-[(2-methyl-1-oxo-2-phenoxypropyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(2-methyl-2-phenoxypropanoyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2-methyl-2-phenoxy-propanoyl)amino]propane-1-sulfonic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCS(=O)(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)NCCCS(=O)(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C13H19NO5S/c1-13(2,19-11-7-4-3-5-8-11)12(15)14-9-6-10-20(16,17)18/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15)(H,16,17,18)