2-bromanyl-N-[[4-[[(1-methylpyridin-1-ium-2-yl)carbonylamino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide

Systemtic Name: 2-bromanyl-N-[[4-[[(1-methylpyridin-1-ium-2-yl)carbonylamino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide Openeye Name: 2-bromo-N-[[4-[[(1-methylpyridin-1-ium-2-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide CAS Name: 2-bromo-N-[[4-[[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]hydrazo]-oxomethyl]cyclohexyl]methyl]benzenesulfonamide iodide IUPAC Name: 2-bromo-N-[[4-[[(1-methylpyridin-1-ium-2-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide iodide Traditional Name: 2-bromo-N-[[4-[[(1-methylpyridin-1-ium-2-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=C1C(=O)NNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3Br.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)NNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3Br.[I-]

InChI

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