N-[2-(4-methoxyphenyl)ethyl]-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C23H23N3O4S/c1-30-18-11-9-17(10-12-18)13-14-24-23(28)19-6-2-3-7-20(19)25-21(27)16-31-22-8-4-5-15-26(22)29/h2-12,15H,13-14,16H2,1H3,(H,24,28)(H,25,27)