3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H25N3O4S/c1-21(18-7-3-2-4-8-18)28(26,27)19-9-5-6-17(16-19)20(25)23-12-10-22(11-13-23)14-15-24/h2-9,16,24H,10-15H2,1H3/p+1