2-phenyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]ethanamide

Systemtic Name: 2-phenyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]ethanamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-phenyl-acetamide CAS Name: 2-phenyl-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]acetamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-phenylacetamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-phenyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c25-21(17-19-7-3-1-4-8-19)22-11-16-28(26,27)24-14-12-23(13-15-24)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)/p+1