sodium 4-butylsulfinyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-butylsulfinyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-butylsulfinyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-butylsulfinyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-butylsulfinyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-butylsulfinyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C15H19N2NaO7S3 MolecularWeight: 458.50533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CCCCS(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C15H20N2O7S3.Na/c1-2-3-7-25(18)13-8-12(17-10-11-5-4-6-24-11)14(27(21,22)23)9-15(13)26(16,19)20;/h4-6,8-9,17H,2-3,7,10H2,1H3,(H2,16,19,20)(H,21,22,23);/q;+1/p-1