O-[2-(4-sulfamoylphenyl)ethyl] 4-sulfamoylbenzenecarbothioate

Systemtic Name: O-[2-(4-sulfamoylphenyl)ethyl] 4-sulfamoylbenzenecarbothioate Openeye Name: O-[2-(4-sulfamoylphenyl)ethyl] 4-sulfamoylbenzenecarbothioate CAS Name: 4-sulfamoylbenzenecarbothioic acid O-[2-(4-sulfamoylphenyl)ethyl] ester IUPAC Name: O-[2-(4-sulfamoylphenyl)ethyl] 4-sulfamoylbenzenecarbothioate Traditional Name: 4-sulfamoylthiobenzoic acid O-[2-(4-sulfamoylphenyl)ethyl] ester Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC(=S)C2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCOC(=S)C2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C15H16N2O5S3/c16-24(18,19)13-5-1-11(2-6-13)9-10-22-15(23)12-3-7-14(8-4-12)25(17,20)21/h1-8H,9-10H2,(H2,16,18,19)(H2,17,20,21)