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

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(phenylmethyl)imidazolidine-2,4,5-trione Openeye Name: 1-benzyl-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(phenylmethyl)imidazolidine-2,4,5-trione IUPAC Name: 1-benzyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-benzyl-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C22H25N4O5S+ MolecularWeight: 457.5227

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O5S/c1-17-7-9-19(10-8-17)32(30,31)24-13-11-23(12-14-24)16-26-21(28)20(27)25(22(26)29)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1