2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-17-8-9-18(2)20(14-17)31(29,30)26-12-10-25(11-13-26)16-21(27)24-22(28)23-15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H2,23,24,27,28)/p+1