N-[4-[4-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)piperazin-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)piperazin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-(4-nitro-1-oxido-pyridin-1-ium-3-yl)piperazin-1-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-(4-nitro-1-oxido-3-pyridin-1-iumyl)-1-piperazinyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-(4-nitro-1-oxidopyridin-1-ium-3-yl)piperazin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-(4-nitro-1-oxido-pyridin-1-ium-3-yl)piperazino]phenyl]methanesulfonamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-27(25,26)17-13-2-4-14(5-3-13)18-8-10-19(11-9-18)16-12-20(22)7-6-15(16)21(23)24/h2-7,12,17H,8-11H2,1H3