N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide CAS Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide Formula: C21H28ClN4O3S+ MolecularWeight: 451.99002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O3S/c1-24(2)30(28,29)18-8-9-19(22)20(14-18)23-21(27)16-26-12-10-25(11-13-26)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)/p+1