(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H33NO5S MolecularWeight: 459.59822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C25H33NO5S/c1-17-7-8-20(15-23(17)32(28,29)26-9-11-30-12-10-26)24(27)31-16-22-18(2)13-21(14-19(22)3)25(4,5)6/h7-8,13-15H,9-12,16H2,1-6H3