methyl 3-oxidanylidene-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate Openeye Name: methyl 3-oxo-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate CAS Name: 3-oxo-4-[6-(4-sulfamoylphenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate Traditional Name: 3-keto-4-[6-(4-sulfamoylphenyl)hexylthio]butyric acid methyl ester Formula: C17H25NO5S2 MolecularWeight: 387.5141

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C17H25NO5S2/c1-23-17(20)12-15(19)13-24-11-5-3-2-4-6-14-7-9-16(10-8-14)25(18,21)22/h7-10H,2-6,11-13H2,1H3,(H2,18,21,22)