4-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]ethyl]benzenesulfonamide Formula: C25H30N8O2S+2 MolecularWeight: 506.6231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCC4=CC=C(C=C4)S(=O)(=O)N)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCC4=CC=C(C=C4)S(=O)(=O)N)C5=NC=CC=N5

InChI

InChI=1S/C25H28N8O2S/c26-36(34,35)20-8-6-19(7-9-20)10-13-27-24-21-4-1-2-5-22(21)30-23(31-24)18-32-14-16-33(17-15-32)25-28-11-3-12-29-25/h1-9,11-12H,10,13-18H2,(H2,26,34,35)(H,27,30,31)/p+2