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

Systemtic Name: 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-cyclohexylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonic acid CAS Name: 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid IUPAC Name: 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-cyclohexylsulfonyl-5-sulfamoyl-2-(2-thenylamino)besylic acid Formula: C17H22N2O7S4 MolecularWeight: 494.62578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C17H22N2O7S4/c18-29(22,23)17-10-15(30(24,25)26)14(19-11-12-5-4-8-27-12)9-16(17)28(20,21)13-6-2-1-3-7-13/h4-5,8-10,13,19H,1-3,6-7,11H2,(H2,18,22,23)(H,24,25,26)