4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid

Systemtic Name: 4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Openeye Name: 4-(2-pyridylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid CAS Name: 4-[[oxo-(2-pyridinylamino)methyl]amino]benzenesulfonyl chloride; sulfuric acid IUPAC Name: 4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Traditional Name: 4-(2-pyridylcarbamoylamino)benzenesulfonyl chloride; sulfuric acid Formula: C12H12ClN3O7S2 MolecularWeight: 409.82258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl.OS(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=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)