sodium 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-(piperonylamino)-5-sulfamoyl-besylate Formula: C14H12ClN2NaO7S2 MolecularWeight: 442.82705

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C14H13ClN2O7S2.Na/c15-9-4-10(14(26(20,21)22)5-13(9)25(16,18)19)17-6-8-1-2-11-12(3-8)24-7-23-11;/h1-5,17H,6-7H2,(H2,16,18,19)(H,20,21,22);/q;+1/p-1