methyl 2-[(2R)-1-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]piperidin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]piperidin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(E)-1-methyl-2-(p-tolylsulfonyl)vinyl]-2-piperidyl]acetate CAS Name: 2-[(2R)-1-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]-2-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]piperidin-2-yl]acetate Traditional Name: 2-[(2R)-1-[(E)-1-methyl-2-tosyl-vinyl]-2-piperidyl]acetic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=C(C)N2CCCCC2CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C(\C)/N2CCCC[C@@H]2CC(=O)OC

InChI

InChI=1S/C18H25NO4S/c1-14-7-9-17(10-8-14)24(21,22)13-15(2)19-11-5-4-6-16(19)12-18(20)23-3/h7-10,13,16H,4-6,11-12H2,1-3H3/b15-13+/t16-/m1/s1