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

Systemtic Name: methyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-piperidin-4-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-13(2)17-11-15(12-18(20)23-4)9-10-19(17)24(21,22)16-7-5-14(3)6-8-16/h5-8,13,15,17H,9-12H2,1-4H3/t15-,17-/m1/s1