sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate

Systemtic Name: sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: sodium 4-cycloheptylsulfonyl-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C18H23N2NaO7S4 MolecularWeight: 530.63419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

C1CCCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C18H24N2O7S4.Na/c19-30(23,24)18-11-16(31(25,26)27)15(20-12-13-6-5-9-28-13)10-17(18)29(21,22)14-7-3-1-2-4-8-14;/h5-6,9-11,14,20H,1-4,7-8,12H2,(H2,19,23,24)(H,25,26,27);/q;+1/p-1