diethyl (2S,3S)-2-ethanoyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]butanedioate

Systemtic Name: diethyl (2S,3S)-2-ethanoyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]butanedioate Openeye Name: diethyl (2S,3S)-2-acetyl-2-methyl-3-(p-tolylsulfonylamino)butanedioate CAS Name: (2S,3S)-2-acetyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]butanedioic acid diethyl ester IUPAC Name: diethyl (2S,3S)-2-acetyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]butanedioate Traditional Name: (2S,3S)-2-acetyl-2-methyl-3-(tosylamino)succinic acid diethyl ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)(C(=O)C)C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)[C@H]([C@@](C)(C(=O)C)C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H25NO7S/c1-6-25-16(21)15(18(5,13(4)20)17(22)26-7-2)19-27(23,24)14-10-8-12(3)9-11-14/h8-11,15,19H,6-7H2,1-5H3/t15-,18-/m1/s1