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

Systemtic Name: 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-ethylsulfonyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonic acid CAS Name: 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid IUPAC Name: 4-ethylsulfonyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-esyl-5-sulfamoyl-2-(2-thenylamino)besylic acid Formula: C13H16N2O7S4 MolecularWeight: 440.53534

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7S4/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)