tert-butyl 2-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2S,4R)-2-methyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate Traditional Name: 2-[(2S,4R)-2-methyl-1-tosyl-4-piperidyl]acetic acid tert-butyl ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1S(=O)(=O)C2=CC=C(C=C2)C)CC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1C[C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29NO4S/c1-14-6-8-17(9-7-14)25(22,23)20-11-10-16(12-15(20)2)13-18(21)24-19(3,4)5/h6-9,15-16H,10-13H2,1-5H3/t15-,16+/m0/s1