4-(4-methylphenoxy)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate

Systemtic Name: 4-(4-methylphenoxy)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: 4-(4-methylphenoxy)-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: 4-(4-methylphenoxy)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: 4-(4-methylphenoxy)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(4-methylphenoxy)-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C18H17N2O6S3- MolecularWeight: 453.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C18H18N2O6S3/c1-12-4-6-13(7-5-12)26-16-9-15(20-11-14-3-2-8-27-14)17(29(23,24)25)10-18(16)28(19,21)22/h2-10,20H,11H2,1H3,(H2,19,21,22)(H,23,24,25)/p-1