4-[1-[5-octyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]piperazin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-[1-[5-octyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]piperazin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[1-(5-octyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1-piperazin-1-iumyl]benzenesulfonamide IUPAC Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[1-(2,4,6-triketo-5-octyl-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzenesulfonamide Formula: C22H34N5O5S+ MolecularWeight: 480.60086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H33N5O5S/c1-2-3-4-5-6-7-12-22(19(28)25-21(30)26-20(22)29)27(15-13-24-14-16-27)17-8-10-18(11-9-17)33(23,31)32/h8-11,24H,2-7,12-16H2,1H3,(H3-,23,25,26,28,29,30,31,32)/p+1