2-(1-octadecanoylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1-octadecanoylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-octadecanoyl-2-piperidyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(1-oxooctadecyl)-2-piperidinyl]ethyl ester IUPAC Name: 2-(1-octadecanoylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-stearoyl-2-piperidyl)ethyl ester Formula: C32H55NO4S MolecularWeight: 549.8484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C32H55NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(34)33-27-19-18-20-30(33)26-28-37-38(35,36)31-24-22-29(2)23-25-31/h22-25,30H,3-21,26-28H2,1-2H3