sodium 4-chloranyl-2-[2-(furan-2-yl)ethylamino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-2-[2-(furan-2-yl)ethylamino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-2-[2-(2-furyl)ethylamino]-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-chloro-2-[2-(2-furanyl)ethylamino]-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-[2-(furan-2-yl)ethylamino]-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-[2-(2-furyl)ethylamino]-5-sulfamoyl-besylate Formula: C12H12ClN2NaO6S2 MolecularWeight: 402.80625

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

C1=COC(=C1)CCNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C12H13ClN2O6S2.Na/c13-9-6-10(15-4-3-8-2-1-5-21-8)12(23(18,19)20)7-11(9)22(14,16)17;/h1-2,5-7,15H,3-4H2,(H2,14,16,17)(H,18,19,20);/q;+1/p-1