azanium 4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: azanium 4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: ammonium 2-(benzylamino)-4-phenoxy-5-sulfamoyl-benzenesulfonate CAS Name: ammonium 4-phenoxy-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonate IUPAC Name: azanium 2-(benzylamino)-4-phenoxy-5-sulfamoylbenzenesulfonate Traditional Name: ammonium 2-(benzylamino)-4-phenoxy-5-sulfamoyl-besylate Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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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.[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)OC3=CC=CC=C3.[NH4+]

InChI

InChI=1S/C19H18N2O6S2.H3N/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);1H3