2-(furan-2-ylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 2-(2-furylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 2-(2-furanylmethylamino)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 2-(2-furfurylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H18N2O6S/c1-12-4-6-13(7-5-12)27-17-10-16(21-11-14-3-2-8-26-14)15(19(22)23)9-18(17)28(20,24)25/h2-10,21H,11H2,1H3,(H,22,23)(H2,20,24,25)