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

Systemtic Name: 4-ethoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-ethoxy-N,3-dimethyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N,3-dimethyl-benzenesulfonamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H27N3O4S/c1-5-24-16-7-6-15(12-14(16)2)25(22,23)19(4)13-17(21)20-10-8-18(3)9-11-20/h6-7,12H,5,8-11,13H2,1-4H3/p+1