3-(1,3-benzodioxol-5-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-(piperonylamino)-5-sulfamoyl-benzoic acid Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=CC(=C3)C(=O)O)S(=O)(=O)N)OC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=CC(=C3)C(=O)O)S(=O)(=O)N)OC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O7S/c22-31(26,27)19-10-14(21(24)25)9-16(20(19)30-15-4-2-1-3-5-15)23-11-13-6-7-17-18(8-13)29-12-28-17/h1-10,23H,11-12H2,(H,24,25)(H2,22,26,27)