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

Systemtic Name: 4-(4-acetamidophenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamidophenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamidophenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamidophenoxy)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamidophenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6S/c1-14(26)25-17-7-9-18(10-8-17)31-21-19(24-13-15-5-3-2-4-6-15)11-16(22(27)28)12-20(21)32(23,29)30/h2-12,24H,13H2,1H3,(H,25,26)(H,27,28)(H2,23,29,30)