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

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(4-sulfamoylphenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[6-(4-sulfamoylphenyl)hexylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(4-sulfamoylphenyl)hexylthio]butyric acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-25-17(21)12-18(22,13-19)14-26-11-5-3-2-4-6-15-7-9-16(10-8-15)27(20,23)24/h7-10,22H,2-6,11-12,14H2,1H3,(H2,20,23,24)