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

Systemtic Name: [2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)CCNC(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)CCNC(=O)C

InChI

InChI=1S/C18H27N3O6S/c1-5-21(6-2)28(25,26)15-8-7-13(3)16(11-15)20-17(23)12-27-18(24)9-10-19-14(4)22/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,19,22)(H,20,23)