4-(4-methoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(4-methoxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S/c1-28-16-7-9-17(10-8-16)29-20-18(23-13-14-5-3-2-4-6-14)11-15(21(24)25)12-19(20)30(22,26)27/h2-12,23H,13H2,1H3,(H,24,25)(H2,22,26,27)