hydrogen sulfate; 4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride

Systemtic Name: hydrogen sulfate; 4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride Openeye Name: hydrogen sulfate; 4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride CAS Name: hydrogen sulfate; 4-[[oxo-(2-pyridin-1-iumylamino)methyl]amino]benzenesulfonyl chloride IUPAC Name: hydrogen sulfate; 4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride Traditional Name: 4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride bisulfate Formula: C12H12ClN3O7S2 MolecularWeight: 409.82258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H10ClN3O3S.H2O4S/c13-20(18,19)10-6-4-9(5-7-10)15-12(17)16-11-3-1-2-8-14-11;1-5(2,3)4/h1-8H,(H2,14,15,16,17);(H2,1,2,3,4)