N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-20-11-13-21(14-12-20)19(24)15-22(16-7-3-2-4-8-16)29(27,28)18-10-6-5-9-17(18)23(25)26/h2-10H,11-15H2,1H3/p+1