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

Systemtic Name: tert-butyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,4R)-2-isopropyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-propan-2-ylpiperidin-4-yl]acetate Traditional Name: 2-[(2R,4R)-2-isopropyl-1-tosyl-4-piperidyl]acetic acid tert-butyl ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H33NO4S/c1-15(2)19-13-17(14-20(23)26-21(4,5)6)11-12-22(19)27(24,25)18-9-7-16(3)8-10-18/h7-10,15,17,19H,11-14H2,1-6H3/t17-,19-/m1/s1