(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C(C)(C)C

InChI

InChI=1S/C25H33NO4S/c1-18-15-21(25(3,4)5)16-19(2)23(18)17-30-24(27)20-9-11-22(12-10-20)31(28,29)26-13-7-6-8-14-26/h9-12,15-16H,6-8,13-14,17H2,1-5H3