1-[4-(4-methylsulfonylphenyl)-3-octyl-piperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(4-methylsulfonylphenyl)-3-octyl-piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(4-methylsulfonylphenyl)-3-octyl-piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(4-methylsulfonylphenyl)-3-octyl-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(4-methylsulfonylphenyl)-3-octylpiperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(4-mesylphenyl)-3-octyl-piperazino]barbituric acid Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)C)N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)C)N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C23H34N4O5S/c1-3-4-5-6-7-8-9-19-17-25(27-22(29)16-21(28)24-23(27)30)14-15-26(19)18-10-12-20(13-11-18)33(2,31)32/h10-13,19H,3-9,14-17H2,1-2H3,(H,24,28,30)