ethyl (2R,3R)-3-diethoxyphosphoryl-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-heptanoate

Systemtic Name: ethyl (2R,3R)-3-diethoxyphosphoryl-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-heptanoate Openeye Name: ethyl (2R,3R)-3-diethoxyphosphoryl-3-methyl-4-oxo-2-(p-tolylsulfonylamino)heptanoate CAS Name: (2R,3R)-3-diethoxyphosphoryl-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxoheptanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-diethoxyphosphoryl-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxoheptanoate Traditional Name: (2R,3R)-3-diethoxyphosphoryl-4-keto-3-methyl-2-(tosylamino)enanthic acid ethyl ester Formula: C21H34NO8PS MolecularWeight: 491.535321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C)(C(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO8PS/c1-7-11-18(23)21(6,31(25,29-9-3)30-10-4)19(20(24)28-8-2)22-32(26,27)17-14-12-16(5)13-15-17/h12-15,19,22H,7-11H2,1-6H3/t19-,21+/m1/s1