(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C)C

InChI

InChI=1S/C27H37NO4S/c1-18-12-19(2)16-28(15-18)33(30,31)24-10-8-22(9-11-24)26(29)32-17-25-20(3)13-23(14-21(25)4)27(5,6)7/h8-11,13-14,18-19H,12,15-17H2,1-7H3