1-[4-[4-(1-oxidanidylpyridin-1-ium-2-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(1-oxidanidylpyridin-1-ium-2-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(1-oxidopyridin-1-ium-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-oxidopyridin-1-ium-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(1-oxidopyridin-1-ium-2-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H19N3O5S/c1-14(22)15-5-7-16(8-6-15)27(25,26)20-12-10-19(11-13-20)18(23)17-4-2-3-9-21(17)24/h2-9H,10-13H2,1H3