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

Systemtic Name: 4-(4-azanylphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminophenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-aminophenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminophenoxy)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminophenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c21-15-6-8-16(9-7-15)28-19-17(23-12-13-4-2-1-3-5-13)10-14(20(24)25)11-18(19)29(22,26)27/h1-11,23H,12,21H2,(H,24,25)(H2,22,26,27)