[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NC

InChI

InChI=1S/C22H27N3O6S/c1-14(2)18(25-32(29,30)17-12-10-15(3)11-13-17)21(27)31-19(16-8-6-5-7-9-16)20(26)24-22(28)23-4/h5-14,18-19,25H,1-4H3,(H2,23,24,26,28)