sodium 4-phenyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate

Systemtic Name: sodium 4-phenyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: sodium 3-benzylsulfanyl-4-phenyl-5-sulfamoyl-benzoate CAS Name: sodium 4-phenyl-3-(phenylmethylthio)-5-sulfamoylbenzoate IUPAC Name: sodium 3-benzylsulfanyl-4-phenyl-5-sulfamoylbenzoate Traditional Name: sodium 3-(benzylthio)-4-phenyl-5-sulfamoyl-benzoate Formula: C20H16NNaO4S2 MolecularWeight: 421.46511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H17NO4S2.Na/c21-27(24,25)18-12-16(20(22)23)11-17(19(18)15-9-5-2-6-10-15)26-13-14-7-3-1-4-8-14;/h1-12H,13H2,(H,22,23)(H2,21,24,25);/q;+1/p-1