1-methoxy-1-oxidanylidene-3-(phenethylamino)propane-2-sulfonic acid

Systemtic Name: 1-methoxy-1-oxidanylidene-3-(phenethylamino)propane-2-sulfonic acid Openeye Name: 1-methoxy-1-oxo-3-(phenethylamino)propane-2-sulfonic acid CAS Name: 1-methoxy-1-oxo-3-(phenethylamino)-2-propanesulfonic acid IUPAC Name: 1-methoxy-1-oxo-3-(phenethylamino)propane-2-sulfonic acid Traditional Name: 1-keto-1-methoxy-3-(phenethylamino)propane-2-sulfonic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNCCC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

COC(=O)C(CNCCC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c1-18-12(14)11(19(15,16)17)9-13-8-7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,15,16,17)