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

Systemtic Name: sodium 4-(cyclooctylmethylsulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-(cyclooctylmethylsulfonyl)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-(cyclooctylmethylsulfonyl)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-(cyclooctylmethylsulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-(cyclooctylmethylsulfonyl)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C20H27N2NaO8S3 MolecularWeight: 542.62175

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CS(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCCC(CCC1)CS(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C20H28N2O8S3.Na/c21-32(25,26)20-12-18(33(27,28)29)17(22-13-16-9-6-10-30-16)11-19(20)31(23,24)14-15-7-4-2-1-3-5-8-15;/h6,9-12,15,22H,1-5,7-8,13-14H2,(H2,21,25,26)(H,27,28,29);/q;+1/p-1