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

Systemtic Name: sodium 4-cyclohexylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-cyclohexylsulfanyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-(cyclohexylthio)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-cyclohexylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-(cyclohexylthio)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C17H21N2NaO6S3 MolecularWeight: 468.54321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C17H22N2O6S3.Na/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-12-5-4-8-25-12)9-15(17)26-13-6-2-1-3-7-13;/h4-5,8-10,13,19H,1-3,6-7,11H2,(H2,18,20,21)(H,22,23,24);/q;+1/p-1