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

Systemtic Name: methyl 2-[(2S,4R)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)piperidin-4-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H29NO4S MolecularWeight: 367.50286

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4S/c1-14(2)11-17-12-16(13-19(21)24-4)9-10-20(17)25(22,23)18-7-5-15(3)6-8-18/h5-8,14,16-17H,9-13H2,1-4H3/t16-,17+/m1/s1