4-chloranyl-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-chloro-2-(4-pyridylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-chloro-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-chloro-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-chloro-2-(4-pyridylmethylamino)-5-sulfamoyl-besylic acid Formula: C12H12ClN3O5S2 MolecularWeight: 377.82378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CN=CC=C1CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H12ClN3O5S2/c13-9-5-10(16-7-8-1-3-15-4-2-8)12(23(19,20)21)6-11(9)22(14,17)18/h1-6,16H,7H2,(H2,14,17,18)(H,19,20,21)