methyl 3-[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H23ClN2O5S2 MolecularWeight: 422.94722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C16H23ClN2O5S2/c1-4-19(5-2)26(22,23)12-6-7-13(17)14(10-12)18-15(20)11-25-9-8-16(21)24-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20)