N-(2,5-dimethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(2,5-dimethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(2,5-dimethoxyphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(2,5-dimethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2,5-dimethoxyphenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-22-11-13-23(14-12-22)21(25)16-24(30(26,27)18-7-5-4-6-8-18)19-15-17(28-2)9-10-20(19)29-3/h4-10,15H,11-14,16H2,1-3H3/p+1