N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H27N5O3S/c1-23(2)29(27,28)19-8-5-7-17(14-19)22-20(26)16-25-12-10-24(11-13-25)15-18-6-3-4-9-21-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,26)/p+1