3-(furan-2-ylmethylsulfanyl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(2-furylmethylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 3-(2-furanylmethylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(furan-2-ylmethylsulfanyl)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(2-furfurylthio)-5-sulfamoyl-benzoic acid Formula: C19H17NO5S2 MolecularWeight: 403.47198

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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

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CO3

InChI

InChI=1S/C19H17NO5S2/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)