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

Systemtic Name: methyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)piperidin-4-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-17-8-10-21(11-9-17)28(25,26)23-13-12-19(16-22(24)27-2)15-20(23)14-18-6-4-3-5-7-18/h3-11,19-20H,12-16H2,1-2H3/t19-,20+/m1/s1