N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C23H31N3O4S/c1-16-14-17(2)19(4)23(18(16)3)31(28,29)26-12-10-25(11-13-26)15-22(27)24-20-6-8-21(30-5)9-7-20/h6-9,14H,10-13,15H2,1-5H3,(H,24,27)/p+1