N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[3-(methylsulfamoyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-16-6-4-7-17(2)21(16)24-20(27)15-25-10-12-26(13-11-25)22(28)18-8-5-9-19(14-18)31(29,30)23-3/h4-9,14,23H,10-13,15H2,1-3H3,(H,24,27)/p+1