N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-3-4-12-20(2)27(24,25)16-10-8-15(9-11-16)19-17(22)14-26-18-7-5-6-13-21(18)23/h5-11,13H,3-4,12,14H2,1-2H3,(H,19,22)