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

Systemtic Name: sodium 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: sodium 4-cyclohexylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: sodium 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: sodium 4-cyclohexylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: sodium 4-cyclohexylsulfonyl-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C17H21N2NaO7S4 MolecularWeight: 516.60761

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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.[Na+]

Isomeric SMILES

C1CCC(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/C17H22N2O7S4.Na/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);/q;+1/p-1