1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione

Systemtic Name: 1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 1-hexyl-5-(4-methoxyphenyl)sulfonyl-1-phenyl-hexahydropyrimidin-1-ium-2,4,6-trione Formula: C23H27N2O6S+ MolecularWeight: 459.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C(=O)C(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[N+]1(C(=O)C(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O6S/c1-3-4-5-9-16-25(17-10-7-6-8-11-17)22(27)20(21(26)24-23(25)28)32(29,30)19-14-12-18(31-2)13-15-19/h6-8,10-15,20H,3-5,9,16H2,1-2H3/p+1