1-oxidanidyl-2-phenoxy-N-[2-(phenylsulfonyl)ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-2-phenoxy-N-[2-(phenylsulfonyl)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(benzenesulfonyl)ethyl]-1-oxido-2-phenoxy-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(benzenesulfonyl)ethyl]-1-oxido-2-phenoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-1-oxido-2-phenoxypyridin-1-ium-3-carboxamide Traditional Name: N-(2-besylethyl)-1-oxido-2-phenoxy-pyridin-1-ium-3-carboxamide Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=[N+]2[O-])C(=O)NCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=[N+]2[O-])C(=O)NCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S/c23-19(21-13-15-28(25,26)17-10-5-2-6-11-17)18-12-7-14-22(24)20(18)27-16-8-3-1-4-9-16/h1-12,14H,13,15H2,(H,21,23)