4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzoate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C14H12N2O4S/c17-12(9-21-13-3-1-2-8-16(13)20)15-11-6-4-10(5-7-11)14(18)19/h1-8H,9H2,(H,15,17)(H,18,19)/p-1