(3,5-dimethylphenyl)methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid (3,5-dimethylbenzyl) ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-17(2)23(25(29)33-16-20-13-18(3)12-19(4)14-20)26-24(28)21-6-5-7-22(15-21)34(30,31)27-8-10-32-11-9-27/h5-7,12-15,17,23H,8-11,16H2,1-4H3,(H,26,28)