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

Systemtic Name: 2-(furan-2-ylmethylamino)-4-pentylsulfonyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-pentylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-pentylsulfonyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-pentylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-amylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C16H22N2O8S3 MolecularWeight: 466.54948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O8S3/c1-2-3-4-8-27(19,20)15-9-13(18-11-12-6-5-7-26-12)14(29(23,24)25)10-16(15)28(17,21)22/h5-7,9-10,18H,2-4,8,11H2,1H3,(H2,17,21,22)(H,23,24,25)