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

Systemtic Name: N-butyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-butyl-benzenesulfonamide CAS Name: N-butyl-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-butylbenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-butyl-benzenesulfonamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-2-3-13-24-31(28,29)22-11-9-21(10-12-22)30-19-23(27)26-16-14-25(15-17-26)18-20-7-5-4-6-8-20/h4-12,24H,2-3,13-19H2,1H3/p+1