2-(furan-2-ylmethylamino)-4-methylsulfonyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-methylsulfonyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-methylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-methylsulfonyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-methylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-mesyl-5-sulfamoyl-besylic acid Formula: C12H14N2O8S3 MolecularWeight: 410.44316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H14N2O8S3/c1-23(15,16)11-5-9(14-7-8-3-2-4-22-8)10(25(19,20)21)6-12(11)24(13,17)18/h2-6,14H,7H2,1H3,(H2,13,17,18)(H,19,20,21)