(3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid (3-morpholinosulfonylbenzyl) ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H30N2O6S/c1-17(2)22(25-23(27)20-9-7-18(3)8-10-20)24(28)32-16-19-5-4-6-21(15-19)33(29,30)26-11-13-31-14-12-26/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,25,27)