5,5-bis[2-(phenylsulfonyl)ethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5,5-bis[2-(phenylsulfonyl)ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5,5-bis[2-(benzenesulfonyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5,5-bis[2-(benzenesulfonyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5,5-bis[2-(benzenesulfonyl)ethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5,5-bis(2-besylethyl)barbituric acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=O)NC(=O)NC2=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=O)NC(=O)NC2=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O7S2/c23-17-20(18(24)22-19(25)21-17,11-13-30(26,27)15-7-3-1-4-8-15)12-14-31(28,29)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,22,23,24,25)