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

Systemtic Name: methyl 2-[(2R,4R)-2-tert-butyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H29NO4S MolecularWeight: 367.50286

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4S/c1-14-6-8-16(9-7-14)25(22,23)20-11-10-15(13-18(21)24-5)12-17(20)19(2,3)4/h6-9,15,17H,10-13H2,1-5H3/t15-,17-/m1/s1