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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-16-13-17(2)22(18(3)14-16)30(27,28)25-11-9-24(10-12-25)15-21(26)23-19-5-7-20(29-4)8-6-19/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)/p+1