sodium 4-chloranyl-2-[furan-2-ylmethyl(methyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-2-[furan-2-ylmethyl(methyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-2-[2-furylmethyl(methyl)amino]-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-chloro-2-[2-furanylmethyl(methyl)amino]-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-[2-furfuryl(methyl)amino]-5-sulfamoyl-besylate Formula: C12H12ClN2NaO6S2 MolecularWeight: 402.80625

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

CN(CC1=CC=CO1)C2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C12H13ClN2O6S2.Na/c1-15(7-8-3-2-4-21-8)10-5-9(13)11(22(14,16)17)6-12(10)23(18,19)20;/h2-6H,7H2,1H3,(H2,14,16,17)(H,18,19,20);/q;+1/p-1