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

Systemtic Name: sodium 4-cycloheptylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-cycloheptylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-cycloheptylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-cycloheptylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-cycloheptylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C18H23N2NaO8S3 MolecularWeight: 514.56859

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C18H24N2O8S3.Na/c19-30(23,24)18-11-16(31(25,26)27)15(20-12-13-6-5-9-28-13)10-17(18)29(21,22)14-7-3-1-2-4-8-14;/h5-6,9-11,14,20H,1-4,7-8,12H2,(H2,19,23,24)(H,25,26,27);/q;+1/p-1