4-phenoxy-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenoxy-2-(pyridin-4-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-2-(4-pyridylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-phenoxy-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-2-(pyridin-4-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-2-(4-pyridylmethylamino)-5-sulfamoyl-benzoic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=NC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=NC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H17N3O5S/c20-28(25,26)18-10-15(19(23)24)16(22-12-13-6-8-21-9-7-13)11-17(18)27-14-4-2-1-3-5-14/h1-11,22H,12H2,(H,23,24)(H2,20,25,26)