N-[2,5-dimethoxy-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]phenyl]benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H21N3O5S/c1-29-18-13-17(24-22(27)15-8-4-3-5-9-15)19(30-2)12-16(18)23-20(26)14-31-21-10-6-7-11-25(21)28/h3-13H,14H2,1-2H3,(H,23,26)(H,24,27)