4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[2-octyl-4-(2,4,6-trioxohexahydropyrimidin-1-yl)piperazin-1-yl]benzenesulfonamide CAS Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]benzenesulfonamide Traditional Name: 4-[2-octyl-4-(2,4,6-triketohexahydropyrimidin-1-yl)piperazino]benzenesulfonamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O5S/c1-2-3-4-5-6-7-8-18-16-25(27-21(29)15-20(28)24-22(27)30)13-14-26(18)17-9-11-19(12-10-17)33(23,31)32/h9-12,18H,2-8,13-16H2,1H3,(H2,23,31,32)(H,24,28,30)