N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C16H25N4O6S+ MolecularWeight: 401.4579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O6S/c1-4-17-7-9-18(10-8-17)16(21)12-19(27(3,24)25)14-11-13(20(22)23)5-6-15(14)26-2/h5-6,11H,4,7-10,12H2,1-3H3/p+1