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

Systemtic Name: sodium 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: sodium 4-ethylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: sodium 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: sodium 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: sodium 4-esyl-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C13H15N2NaO7S4 MolecularWeight: 462.51717

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CS2)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CS2)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C13H16N2O7S4.Na/c1-2-24(16,17)12-6-10(15-8-9-4-3-5-23-9)11(26(20,21)22)7-13(12)25(14,18)19;/h3-7,15H,2,8H2,1H3,(H2,14,18,19)(H,20,21,22);/q;+1/p-1