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

Systemtic Name: N-(4-bromophenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-24(9-11-25)14-20(26)23-19-6-4-18(22)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1