[2-methoxy-4-[2-oxidanylidene-2-(propylamino)ethoxy]phenyl]methanesulfonic acid

Systemtic Name: [2-methoxy-4-[2-oxidanylidene-2-(propylamino)ethoxy]phenyl]methanesulfonic acid Openeye Name: [2-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methanesulfonic acid CAS Name: [2-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methanesulfonic acid IUPAC Name: [2-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methanesulfonic acid Traditional Name: [4-[2-keto-2-(propylamino)ethoxy]-2-methoxy-phenyl]methanesulfonic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=CC(=C(C=C1)CS(=O)(=O)O)OC

Isomeric SMILES

CCCNC(=O)COC1=CC(=C(C=C1)CS(=O)(=O)O)OC

InChI

InChI=1S/C13H19NO6S/c1-3-6-14-13(15)8-20-11-5-4-10(9-21(16,17)18)12(7-11)19-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,15)(H,16,17,18)