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

Systemtic Name: N-ethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-ethyl-benzenesulfonamide CAS Name: N-ethyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-ethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-ethyl-benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-24(28(26,27)20-11-7-4-8-12-20)18-21(25)23-15-13-22(14-16-23)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3/p+1