tert-butyl [(2R,3R,6S)-2-methyl-1-methylsulfonyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] carbonate

Systemtic Name: tert-butyl [(2R,3R,6S)-2-methyl-1-methylsulfonyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] carbonate Openeye Name: tert-butyl [(2R,3R,6S)-2-methyl-1-methylsulfonyl-6-(13-oxotetradecyl)-3-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [(2R,3R,6S)-2-methyl-1-methylsulfonyl-6-(13-oxotetradecyl)-3-piperidinyl] ester IUPAC Name: tert-butyl [(2R,3R,6S)-2-methyl-1-methylsulfonyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [(2R,3R,6S)-6-(13-ketotetradecyl)-1-mesyl-2-methyl-3-piperidyl] ester Formula: C26H49NO6S MolecularWeight: 503.73536

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1S(=O)(=O)C)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@@H](N1S(=O)(=O)C)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C

InChI

InChI=1S/C26H49NO6S/c1-21(28)17-15-13-11-9-7-8-10-12-14-16-18-23-19-20-24(22(2)27(23)34(6,30)31)32-25(29)33-26(3,4)5/h22-24H,7-20H2,1-6H3/t22-,23+,24-/m1/s1