[(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-piperidin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-piperidin-3-yl] ethanoate Openeye Name: [(2R,3R)-2-ethynyl-1-(p-tolylsulfonyl)-3-piperidyl] acetate CAS Name: acetic acid [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-3-piperidinyl] ester IUPAC Name: [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-2-ethynyl-1-tosyl-3-piperidyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C#C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@H]2C#C)OC(=O)C

InChI

InChI=1S/C16H19NO4S/c1-4-15-16(21-13(3)18)6-5-11-17(15)22(19,20)14-9-7-12(2)8-10-14/h1,7-10,15-16H,5-6,11H2,2-3H3/t15-,16-/m1/s1