2-(furan-2-ylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-benzylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-benzylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-benzylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C18H18N2O8S3 MolecularWeight: 486.53912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H18N2O8S3/c19-30(23,24)18-10-16(31(25,26)27)15(20-11-14-7-4-8-28-14)9-17(18)29(21,22)12-13-5-2-1-3-6-13/h1-10,20H,11-12H2,(H2,19,23,24)(H,25,26,27)