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

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(2-methylpropylsulfonyl)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-isobutylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-(2-methylpropylsulfonyl)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(2-methylpropylsulfonyl)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-isobutylsulfonyl-5-sulfamoyl-besylic acid Formula: C15H20N2O8S3 MolecularWeight: 452.5229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O8S3/c1-10(2)9-26(18,19)14-6-12(17-8-11-4-3-5-25-11)13(28(22,23)24)7-15(14)27(16,20)21/h3-7,10,17H,8-9H2,1-2H3,(H2,16,20,21)(H,22,23,24)