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

Systemtic Name: 4-bromanyl-N-[[4-[[(1-methylpyridin-1-ium-4-yl)carbonylamino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide Openeye Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-4-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide CAS Name: 4-bromo-N-[[4-[[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]hydrazo]-oxomethyl]cyclohexyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-4-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[[4-[[(1-methylpyridin-1-ium-4-carbonyl)amino]carbamoyl]cyclohexyl]methyl]benzenesulfonamide Formula: C21H26BrN4O4S+ MolecularWeight: 510.42454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O4S/c1-26-12-10-17(11-13-26)21(28)25-24-20(27)16-4-2-15(3-5-16)14-23-31(29,30)19-8-6-18(22)7-9-19/h6-13,15-16,23,28H,2-5,14H2,1H3/p+1