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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-17-13-20(24(3,4)5)14-18(2)22(17)16-30-23(26)19-7-6-8-21(15-19)31(27,28)25-9-11-29-12-10-25/h6-8,13-15H,9-12,16H2,1-5H3