[2-oxidanylidene-2-(phenethylamino)ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O5S/c1-17(2)15-21(25-31(28,29)20-11-9-18(3)10-12-20)23(27)30-16-22(26)24-14-13-19-7-5-4-6-8-19/h4-12,17,21,25H,13-16H2,1-3H3,(H,24,26)