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

Systemtic Name: 4-(4-oxidanylphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(4-hydroxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-hydroxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(4-hydroxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(4-hydroxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)O

InChI

InChI=1S/C20H18N2O6S/c21-29(26,27)18-11-14(20(24)25)10-17(22-12-13-4-2-1-3-5-13)19(18)28-16-8-6-15(23)7-9-16/h1-11,22-23H,12H2,(H,24,25)(H2,21,26,27)