N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(3-nitrophenyl)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)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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