sodium 4-chloranyl-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-2-(4-pyridylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-chloro-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-(4-pyridylmethylamino)-5-sulfamoyl-besylate Formula: C12H11ClN3NaO5S2 MolecularWeight: 399.80561

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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.[Na+]

Isomeric SMILES

C1=CN=CC=C1CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C12H12ClN3O5S2.Na/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);/q;+1/p-1