1-butyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-butyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-butyl-imidazolidine-2,4,5-trione CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-butylimidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-butylimidazolidine-2,4,5-trione Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-butyl-imidazolidine-2,4,5-trione Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O5S/c1-2-3-9-21-16(23)17(24)22(18(21)25)14-19-10-12-20(13-11-19)28(26,27)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3/p+1