dimethyl 2-[(3R,4S)-3-ethenyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[(3R,4S)-3-ethenyl-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]propanedioate Openeye Name: dimethyl 2-[(3R,4S)-1-(p-tolylsulfonyl)-3-vinyl-4-piperidyl]propanedioate CAS Name: 2-[(3R,4S)-3-ethenyl-1-(4-methylphenyl)sulfonyl-4-piperidinyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3R,4S)-3-ethenyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanedioate Traditional Name: 2-[(3R,4S)-1-tosyl-3-vinyl-4-piperidyl]malonic acid dimethyl ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)C=C)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C=C)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H25NO6S/c1-5-14-12-20(27(23,24)15-8-6-13(2)7-9-15)11-10-16(14)17(18(21)25-3)19(22)26-4/h5-9,14,16-17H,1,10-12H2,2-4H3/t14-,16-/m0/s1