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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C)C(C)(C)C

InChI

InChI=1S/C25H33NO6S/c1-17-13-20(25(3,4)5)14-18(2)21(17)16-32-24(27)19-7-8-22(30-6)23(15-19)33(28,29)26-9-11-31-12-10-26/h7-8,13-15H,9-12,16H2,1-6H3