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

Systemtic Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H21N3O4S2/c1-23(15-17-7-3-2-4-8-17)30(27,28)19-12-10-18(11-13-19)22-20(25)16-29-21-9-5-6-14-24(21)26/h2-14H,15-16H2,1H3,(H,22,25)