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

Systemtic Name: tert-butyl 2-[(2S,4R)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2S,4R)-2-isobutyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2S,4R)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S,4R)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)piperidin-4-yl]acetate Traditional Name: 2-[(2S,4R)-2-isobutyl-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(CC2CC(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4S/c1-16(2)13-19-14-18(15-21(24)27-22(4,5)6)11-12-23(19)28(25,26)20-9-7-17(3)8-10-20/h7-10,16,18-19H,11-15H2,1-6H3/t18-,19+/m1/s1