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

Systemtic Name: N-tert-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-tert-butyl-benzenesulfonamide CAS Name: N-tert-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-tert-butylbenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-tert-butyl-benzenesulfonamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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