3-(benzotriazol-2-yl)-5-butan-2-yl-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]-4-oxidanyl-benzenesulfonamide bromide

Systemtic Name: 3-(benzotriazol-2-yl)-5-butan-2-yl-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]-4-oxidanyl-benzenesulfonamide bromide Openeye Name: 3-(benzotriazol-2-yl)-4-hydroxy-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]-5-sec-butyl-benzenesulfonamide bromide CAS Name: 3-(2-benzotriazolyl)-5-butan-2-yl-4-hydroxy-N-[2-[(1-methyl-2-pyrimidin-1-iumyl)thio]ethyl]benzenesulfonamide bromide IUPAC Name: 3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxy-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]benzenesulfonamide bromide Traditional Name: 3-(benzotriazol-2-yl)-4-hydroxy-N-[2-[(1-methylpyrimidin-1-ium-2-yl)thio]ethyl]-5-sec-butyl-benzenesulfonamide bromide Formula: C23H27BrN6O3S2 MolecularWeight: 579.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCSC4=NC=CC=[N+]4C.[Br-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCSC4=NC=CC=[N+]4C.[Br-]

InChI

InChI=1S/C23H26N6O3S2.BrH/c1-4-16(2)18-14-17(34(31,32)25-11-13-33-23-24-10-7-12-28(23)3)15-21(22(18)30)29-26-19-8-5-6-9-20(19)27-29;/h5-10,12,14-16,25H,4,11,13H2,1-3H3;1H