2-(furan-3-ylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(furan-3-ylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 2-(3-furylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 2-(3-furanylmethylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 2-(furan-3-ylmethylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 2-(3-furfurylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H16N2O5S2/c19-27(23,24)17-8-14(18(21)22)15(20-10-12-6-7-25-11-12)9-16(17)26-13-4-2-1-3-5-13/h1-9,11,20H,10H2,(H,21,22)(H2,19,23,24)