4-(4-acetamido-3-methyl-phenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-acetamido-3-methyl-phenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamido-3-methyl-phenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamido-3-methylphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamido-3-methylphenoxy)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamido-3-methyl-phenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H23N3O6S/c1-14-10-18(8-9-19(14)26-15(2)27)32-22-20(25-13-16-6-4-3-5-7-16)11-17(23(28)29)12-21(22)33(24,30)31/h3-12,25H,13H2,1-2H3,(H,26,27)(H,28,29)(H2,24,30,31)