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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(3-nitrophenyl)methanesulfonamide Formula: C14H21N4O5S+ MolecularWeight: 357.40534

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5S/c1-15-6-8-16(9-7-15)14(19)11-17(24(2,22)23)12-4-3-5-13(10-12)18(20)21/h3-5,10H,6-9,11H2,1-2H3/p+1