sodium 4-chloranyl-2-(oxolan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-2-(oxolan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-5-sulfamoyl-2-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: sodium 4-chloro-2-(2-oxolanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-5-sulfamoyl-2-(tetrahydrofurfurylamino)besylate Formula: C11H14ClN2NaO6S2 MolecularWeight: 392.81143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

C1CC(OC1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C11H15ClN2O6S2.Na/c12-8-4-9(14-6-7-2-1-3-20-7)11(22(17,18)19)5-10(8)21(13,15)16;/h4-5,7,14H,1-3,6H2,(H2,13,15,16)(H,17,18,19);/q;+1/p-1