N-ethyl-N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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