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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoylamino]benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H21N3O4S/c1-15(30-20-9-5-6-14-25(20)28)21(26)23-17-12-10-16(11-13-17)22(27)24-18-7-3-4-8-19(18)29-2/h3-15H,1-2H3,(H,23,26)(H,24,27)