1-methoxy-1-oxidanylidene-3-[(phenylmethyl)amino]propane-2-sulfonic acid

Systemtic Name: 1-methoxy-1-oxidanylidene-3-[(phenylmethyl)amino]propane-2-sulfonic acid Openeye Name: 3-(benzylamino)-1-methoxy-1-oxo-propane-2-sulfonic acid CAS Name: 1-methoxy-1-oxo-3-[(phenylmethyl)amino]-2-propanesulfonic acid IUPAC Name: 3-(benzylamino)-1-methoxy-1-oxopropane-2-sulfonic acid Traditional Name: 3-(benzylamino)-1-keto-1-methoxy-propane-2-sulfonic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNCC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

COC(=O)C(CNCC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C11H15NO5S/c1-17-11(13)10(18(14,15)16)8-12-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,14,15,16)