sodium 4-cyclohexylsulfonyl-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-cyclohexylsulfonyl-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-cyclohexylsulfonyl-2-(3-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-cyclohexylsulfonyl-2-(3-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-cyclohexylsulfonyl-2-(furan-3-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-cyclohexylsulfonyl-2-(3-furfurylamino)-5-sulfamoyl-besylate Formula: C17H21N2NaO8S3 MolecularWeight: 500.54201

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=COC=C3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=COC=C3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C17H22N2O8S3.Na/c18-29(22,23)17-9-15(30(24,25)26)14(19-10-12-6-7-27-11-12)8-16(17)28(20,21)13-4-2-1-3-5-13;/h6-9,11,13,19H,1-5,10H2,(H2,18,22,23)(H,24,25,26);/q;+1/p-1