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

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(phenylsulfonyl)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(benzenesulfonyl)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(benzenesulfonyl)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(benzenesulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-besyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C17H16N2O8S3 MolecularWeight: 472.51254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H16N2O8S3/c18-29(22,23)17-10-15(30(24,25)26)14(19-11-12-5-4-8-27-12)9-16(17)28(20,21)13-6-2-1-3-7-13/h1-10,19H,11H2,(H2,18,22,23)(H,24,25,26)