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

Systemtic Name: methyl 3-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C17H26N2O5S2 MolecularWeight: 402.52874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S2/c1-5-19(6-2)26(22,23)14-8-7-13(3)15(11-14)18-16(20)12-25-10-9-17(21)24-4/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,20)