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

Systemtic Name: 4-cyclopentylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-cyclopentylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-cyclopentylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-cyclopentylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-cyclopentylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C16H20N2O8S3 MolecularWeight: 464.5336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N2O8S3/c17-28(21,22)16-9-14(29(23,24)25)13(18-10-11-4-3-7-26-11)8-15(16)27(19,20)12-5-1-2-6-12/h3-4,7-9,12,18H,1-2,5-6,10H2,(H2,17,21,22)(H,23,24,25)