N-(phenylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(phenylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(phenylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-(phenylcarbamoyl)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)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3)C

InChI

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