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

Systemtic Name: tert-butyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,4R)-2-benzyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,4R)-2-benzyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate Traditional Name: 2-[(2R,4R)-2-benzyl-1-tosyl-4-piperidyl]acetic acid tert-butyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2CC3=CC=CC=C3)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C[C@@H]2CC3=CC=CC=C3)CC(=O)OC(C)(C)C

InChI

InChI=1S/C25H33NO4S/c1-19-10-12-23(13-11-19)31(28,29)26-15-14-21(18-24(27)30-25(2,3)4)17-22(26)16-20-8-6-5-7-9-20/h5-13,21-22H,14-18H2,1-4H3/t21-,22+/m1/s1