N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-27-20-13-18(10-11-19(20)28-15-17-7-3-2-4-8-17)14-23-21(25)16-29-22-9-5-6-12-24(22)26/h2-13H,14-16H2,1H3,(H,23,25)