(phenylmethyl) 5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3-oxidanylidene-hexanoate Openeye Name: benzyl 5-methyl-3-oxo-4-[(p-tolylsulfonylamino)methyl]hexanoate CAS Name: 5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3-oxohexanoate Traditional Name: 3-keto-5-methyl-4-[(tosylamino)methyl]hexanoic acid benzyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(C)C)C(=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(C)C)C(=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-16(2)20(14-23-29(26,27)19-11-9-17(3)10-12-19)21(24)13-22(25)28-15-18-7-5-4-6-8-18/h4-12,16,20,23H,13-15H2,1-3H3