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

Systemtic Name: 4-cyclopentylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-cyclopentylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonic acid CAS Name: 4-cyclopentylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid IUPAC Name: 4-cyclopentylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-cyclopentylsulfonyl-5-sulfamoyl-2-(2-thenylamino)besylic acid Formula: C16H20N2O7S4 MolecularWeight: 480.5992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N2O7S4/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)