N-butyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O4S/c1-3-4-9-18-25(22,23)16-7-5-15(6-8-16)24-14-17(21)20-12-10-19(2)11-13-20/h5-8,18H,3-4,9-14H2,1-2H3/p+1