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

Systemtic Name: 4-butylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-butylsulfanyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(butylthio)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-butylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(butylthio)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C15H20N2O6S3 MolecularWeight: 420.5241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C15H20N2O6S3/c1-2-3-7-24-13-8-12(17-10-11-5-4-6-23-11)14(26(20,21)22)9-15(13)25(16,18)19/h4-6,8-9,17H,2-3,7,10H2,1H3,(H2,16,18,19)(H,20,21,22)