S-[6-(4-sulfamoylphenyl)hexyl] ethanethioate

Systemtic Name: S-[6-(4-sulfamoylphenyl)hexyl] ethanethioate Openeye Name: S-[6-(4-sulfamoylphenyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-(4-sulfamoylphenyl)hexyl] ester IUPAC Name: S-[6-(4-sulfamoylphenyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(4-sulfamoylphenyl)hexyl] ester Formula: C14H21NO3S2 MolecularWeight: 315.45144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(=O)SCCCCCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H21NO3S2/c1-12(16)19-11-5-3-2-4-6-13-7-9-14(10-8-13)20(15,17)18/h7-10H,2-6,11H2,1H3,(H2,15,17,18)