(3-methylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-methylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: m-tolylmethyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (3-methylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H27NO4S/c1-16-5-4-6-19(12-16)15-27-22(24)20-7-9-21(10-8-20)28(25,26)23-13-17(2)11-18(3)14-23/h4-10,12,17-18H,11,13-15H2,1-3H3