2-(4-sulfamoylphenoxy)ethyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCCOC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCCOC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H19NO5S2/c22-29(24,25)17-9-7-16(8-10-17)26-11-12-27-21(23)19-13-15-6-5-14-3-1-2-4-18(14)20(15)28-19/h1-4,7-10,13H,5-6,11-12H2,(H2,22,24,25)