N-[4-[2-[4-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)piperazin-1-yl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[4-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)piperazin-1-yl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[4-(4-nitro-1-oxido-pyridin-1-ium-3-yl)piperazin-1-yl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[4-(4-nitro-1-oxido-3-pyridin-1-iumyl)-1-piperazinyl]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[4-(4-nitro-1-oxidopyridin-1-ium-3-yl)piperazin-1-yl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[4-(4-nitro-1-oxido-pyridin-1-ium-3-yl)piperazino]acetyl]phenyl]methanesulfonamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-30(28,29)19-15-4-2-14(3-5-15)18(24)13-20-8-10-21(11-9-20)17-12-22(25)7-6-16(17)23(26)27/h2-7,12,19H,8-11,13H2,1H3