N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-5-18-8-10-19(11-9-18)17(21)13-20(24(4,22)23)16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3/p+1