2-[(3-methoxy-4-phenylmethoxy-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(4-benzoxy-3-methoxy-benzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S/c1-25-19-13-17(15-27(23,24)20-9-5-6-12-21(20)22)10-11-18(19)26-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3