[(2R,4R,5S)-5-acetamido-1-ethanoyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]piperidin-4-yl] ethanoate

Systemtic Name: [(2R,4R,5S)-5-acetamido-1-ethanoyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]piperidin-4-yl] ethanoate Openeye Name: [(2R,4R,5S)-5-acetamido-1-acetyl-2-[3-(p-tolylsulfonyloxy)propyl]-4-piperidyl] acetate CAS Name: acetic acid [(2R,4R,5S)-5-acetamido-1-acetyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]-4-piperidinyl] ester IUPAC Name: [(2R,4R,5S)-5-acetamido-1-acetyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]piperidin-4-yl] acetate Traditional Name: acetic acid [(2R,4R,5S)-5-acetamido-1-acetyl-2-(3-tosyloxypropyl)-4-piperidyl] ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CC(C(CN2C(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@@H]2C[C@H]([C@H](CN2C(=O)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C21H30N2O7S/c1-14-7-9-19(10-8-14)31(27,28)29-11-5-6-18-12-21(30-17(4)26)20(22-15(2)24)13-23(18)16(3)25/h7-10,18,20-21H,5-6,11-13H2,1-4H3,(H,22,24)/t18-,20+,21-/m1/s1