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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: 4-(4-chlorophenyl)sulfanyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: 4-[(4-chlorophenyl)thio]-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: 4-(4-chlorophenyl)sulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: 4-[(4-chlorophenyl)thio]-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C17H14ClN2O6S3- MolecularWeight: 473.95086

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O6S3/c18-11-3-5-13(6-4-11)27-15-8-14(20-10-12-2-1-7-26-12)16(29(23,24)25)9-17(15)28(19,21)22/h1-9,20H,10H2,(H2,19,21,22)(H,23,24,25)/p-1