2-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-chloro-2-(piperonylamino)-5-sulfamoyl-besylic acid Formula: C14H13ClN2O7S2 MolecularWeight: 420.84522

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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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H13ClN2O7S2/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)