1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione Openeye Name: 1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-[2-(2-thienyl)ethyl]imidazolidine-2,4,5-trione CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione Traditional Name: 1-[2-(2-thienyl)ethyl]-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C21H25N4O5S2+ MolecularWeight: 477.577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)CCC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)CCC4=CC=CS4

InChI

InChI=1S/C21H24N4O5S2/c1-16-4-6-18(7-5-16)32(29,30)23-12-10-22(11-13-23)15-25-20(27)19(26)24(21(25)28)9-8-17-3-2-14-31-17/h2-7,14H,8-13,15H2,1H3/p+1