4-bromanyl-N-[[4-[[(1-methylpyridin-1-ium-3-yl)carbonylamino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide

Systemtic Name: 4-bromanyl-N-[[4-[[(1-methylpyridin-1-ium-3-yl)carbonylamino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide Openeye Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-3-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide CAS Name: 4-bromo-N-[[4-[[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]hydrazo]-oxomethyl]cyclohexyl]methyl]benzenesulfonamide iodide IUPAC Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-3-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide Traditional Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-3-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide Formula: C21H26BrIN4O4S MolecularWeight: 637.32901

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)Br.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)Br.[I-]

InChI

InChI=1S/C21H25BrN4O4S.HI/c1-26-12-2-3-17(14-26)21(28)25-24-20(27)16-6-4-15(5-7-16)13-23-31(29,30)19-10-8-18(22)9-11-19;/h2-3,8-12,14-16,23H,4-7,13H2,1H3,(H-,24,25,27,28);1H