sodium 3-(furan-2-ylmethylsulfanyl)-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: sodium 3-(furan-2-ylmethylsulfanyl)-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: sodium 4-benzyl-3-(2-furylmethylsulfanyl)-5-sulfamoyl-benzoate CAS Name: sodium 3-(2-furanylmethylthio)-4-(phenylmethyl)-5-sulfamoylbenzoate IUPAC Name: sodium 4-benzyl-3-(furan-2-ylmethylsulfanyl)-5-sulfamoylbenzoate Traditional Name: sodium 4-benzyl-3-(2-furfurylthio)-5-sulfamoyl-benzoate Formula: C19H16NNaO5S2 MolecularWeight: 425.45381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)[O-])SCC3=CC=CO3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)[O-])SCC3=CC=CO3.[Na+]

InChI

InChI=1S/C19H17NO5S2.Na/c20-27(23,24)18-11-14(19(21)22)10-17(26-12-15-7-4-8-25-15)16(18)9-13-5-2-1-3-6-13;/h1-8,10-11H,9,12H2,(H,21,22)(H2,20,23,24);/q;+1/p-1