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

Systemtic Name: tert-butyl 2-[(2R,4R)-2-tert-butyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,4R)-2-tert-butyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2R,4R)-2-tert-butyl-1-(4-methylphenyl)sulfonyl-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,4R)-2-tert-butyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate Traditional Name: 2-[(2R,4R)-2-tert-butyl-1-tosyl-4-piperidyl]acetic acid tert-butyl ester Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(C)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C[C@@H]2C(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35NO4S/c1-16-8-10-18(11-9-16)28(25,26)23-13-12-17(14-19(23)21(2,3)4)15-20(24)27-22(5,6)7/h8-11,17,19H,12-15H2,1-7H3/t17-,19-/m1/s1