2-(furan-2-ylmethylamino)-4-(4-methylphenyl)sulfanyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenyl)sulfanyl-5-sulfamoyl-benzenesulfonate Openeye Name: 2-(2-furylmethylamino)-4-(p-tolylsulfanyl)-5-sulfamoyl-benzenesulfonate CAS Name: 2-(2-furanylmethylamino)-4-[(4-methylphenyl)thio]-5-sulfamoylbenzenesulfonate IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenyl)sulfanyl-5-sulfamoylbenzenesulfonate Traditional Name: 2-(2-furfurylamino)-4-(p-tolylthio)-5-sulfamoyl-besylate Formula: C18H17N2O6S3- MolecularWeight: 453.53238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C18H18N2O6S3/c1-12-4-6-14(7-5-12)27-16-9-15(20-11-13-3-2-8-26-13)17(29(23,24)25)10-18(16)28(19,21)22/h2-10,20H,11H2,1H3,(H2,19,21,22)(H,23,24,25)/p-1