[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H30N2O6S/c1-6-30-19-11-9-18(10-12-19)24-22(26)17(5)31-23(27)21(15(2)3)25-32(28,29)20-13-7-16(4)8-14-20/h7-15,17,21,25H,6H2,1-5H3,(H,24,26)/t17?,21-/m0/s1