1-oxidanidyl-2-[[2-(phenylsulfonyl)phenyl]methyl]pyridin-1-ium

Systemtic Name: 1-oxidanidyl-2-[[2-(phenylsulfonyl)phenyl]methyl]pyridin-1-ium Openeye Name: 2-[[2-(benzenesulfonyl)phenyl]methyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[2-(benzenesulfonyl)phenyl]methyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[[2-(benzenesulfonyl)phenyl]methyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-besylbenzyl)-1-oxido-pyridin-1-ium Formula: C18H15NO3S MolecularWeight: 325.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2CC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2CC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H15NO3S/c20-19-13-7-6-9-16(19)14-15-8-4-5-12-18(15)23(21,22)17-10-2-1-3-11-17/h1-13H,14H2