N-[4-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylphenyl]methanesulfonamide

Systemtic Name: N-[4-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylphenyl]methanesulfonamide Openeye Name: N-[4-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylphenyl]methanesulfonamide CAS Name: N-[4-[(6-cyclohexylsulfonyl-1-oxido-3-pyridazin-1-iumyl)sulfonyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(6-cyclohexylsulfonyl-1-oxidopyridazin-1-ium-3-yl)sulfonylphenyl]methanesulfonamide Traditional Name: N-[4-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylphenyl]methanesulfonamide Formula: C17H21N3O7S3 MolecularWeight: 475.55954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3CCCCC3)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3CCCCC3)[O-]

InChI

InChI=1S/C17H21N3O7S3/c1-28(22,23)19-13-7-9-15(10-8-13)29(24,25)16-11-12-17(20(21)18-16)30(26,27)14-5-3-2-4-6-14/h7-12,14,19H,2-6H2,1H3