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

Systemtic Name: sodium 4-cyclopentylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-cyclopentylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-cyclopentylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-cyclopentylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-cyclopentylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C16H19N2NaO8S3 MolecularWeight: 486.51543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C16H20N2O8S3.Na/c17-28(21,22)16-9-14(29(23,24)25)13(18-10-11-4-3-7-26-11)8-15(16)27(19,20)12-5-1-2-6-12;/h3-4,7-9,12,18H,1-2,5-6,10H2,(H2,17,21,22)(H,23,24,25);/q;+1/p-1