N-(1,3-benzodioxol-5-yl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H17N3O5S/c25-19(12-30-20-7-3-4-10-24(20)27)23-16-6-2-1-5-15(16)21(26)22-14-8-9-17-18(11-14)29-13-28-17/h1-11H,12-13H2,(H,22,26)(H,23,25)