4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(benzylamino)-4-phenoxy-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(benzylamino)-4-phenoxy-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(benzylamino)-4-phenoxy-5-sulfamoyl-besylic acid Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O6S2/c20-28(22,23)19-12-18(29(24,25)26)16(21-13-14-7-3-1-4-8-14)11-17(19)27-15-9-5-2-6-10-15/h1-12,21H,13H2,(H2,20,22,23)(H,24,25,26)