N-methoxy-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methoxy-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methoxy-N-methyl-benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methoxy-N-methyl-benzenesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-21(27-2)28(25,26)19-10-6-9-18(15-19)20(24)23-13-11-22(12-14-23)16-17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3/p+1