(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

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