1-oxidanidyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[[4-(sulfamoylmethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[[4-(sulfamoylmethyl)phenyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[[4-(sulfamoylmethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[4-(sulfamoylmethyl)benzyl]pyridin-1-ium-3-carboxamide Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)N

InChI

InChI=1S/C14H15N3O4S/c15-22(20,21)10-12-5-3-11(4-6-12)8-16-14(18)13-2-1-7-17(19)9-13/h1-7,9H,8,10H2,(H,16,18)(H2,15,20,21)