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

Systemtic Name: 2-(oxolan-2-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-5-sulfamoyl-2-(tetrahydrofuran-2-ylmethylamino)benzoic acid CAS Name: 2-(2-oxolanylmethylamino)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 2-(oxolan-2-ylmethylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-5-sulfamoyl-2-(tetrahydrofurfurylamino)benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O6S/c19-27(23,24)17-9-14(18(21)22)15(20-11-13-7-4-8-25-13)10-16(17)26-12-5-2-1-3-6-12/h1-3,5-6,9-10,13,20H,4,7-8,11H2,(H,21,22)(H2,19,23,24)