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

Systemtic Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]methyl]benzenesulfonamide Formula: C24H28N8O2S+2 MolecularWeight: 492.59652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=C(C=C4)S(=O)(=O)N)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=C(C=C4)S(=O)(=O)N)C5=NC=CC=N5

InChI

InChI=1S/C24H26N8O2S/c25-35(33,34)19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)24-26-10-3-11-27-24/h1-11H,12-17H2,(H2,25,33,34)(H,28,29,30)/p+2