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

Systemtic Name: sodium 2-(furan-2-ylmethylamino)-4-hexylsulfonyl-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-(2-furylmethylamino)-4-hexylsulfonyl-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-(2-furanylmethylamino)-4-hexylsulfonyl-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-(furan-2-ylmethylamino)-4-hexylsulfonyl-5-sulfamoylbenzenesulfonate Traditional Name: sodium 2-(2-furfurylamino)-4-hexylsulfonyl-5-sulfamoyl-besylate Formula: C17H23N2NaO8S3 MolecularWeight: 502.55789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O8S3.Na/c1-2-3-4-5-9-28(20,21)16-10-14(19-12-13-7-6-8-27-13)15(30(24,25)26)11-17(16)29(18,22)23;/h6-8,10-11,19H,2-5,9,12H2,1H3,(H2,18,22,23)(H,24,25,26);/q;+1/p-1