(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H35NO4S MolecularWeight: 457.6254

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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)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C26H35NO4S/c1-18-10-11-21(16-24(18)32(29,30)27-12-8-7-9-13-27)25(28)31-17-23-19(2)14-22(15-20(23)3)26(4,5)6/h10-11,14-16H,7-9,12-13,17H2,1-6H3