2-(furan-2-ylmethylamino)-4-(phenylsulfinyl)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(phenylsulfinyl)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(benzenesulfinyl)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(benzenesulfinyl)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(benzenesulfinyl)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(benzenesulfinyl)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C17H16N2O7S3 MolecularWeight: 456.51314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C17H16N2O7S3/c18-28(21,22)17-10-16(29(23,24)25)14(19-11-12-5-4-8-26-12)9-15(17)27(20)13-6-2-1-3-7-13/h1-10,19H,11H2,(H2,18,21,22)(H,23,24,25)