N-ethyl-N-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethylacetamide Traditional Name: N-benzyl-2-(4-besylpiperazin-1-ium-1-yl)-N-ethyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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