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

Systemtic Name: 4-(2-methylpropylsulfonyl)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-isobutylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonic acid CAS Name: 4-(2-methylpropylsulfonyl)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid IUPAC Name: 4-(2-methylpropylsulfonyl)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-isobutylsulfonyl-5-sulfamoyl-2-(2-thenylamino)besylic acid Formula: C15H20N2O7S4 MolecularWeight: 468.5885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CS2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CC(C)CS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CS2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C15H20N2O7S4/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)