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

Systemtic Name: 2-(1-octadecylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-octadecyl-2-piperidyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-octadecyl-2-piperidinyl)ethyl ester IUPAC Name: 2-(1-octadecylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-stearyl-2-piperidyl)ethyl ester Formula: C32H57NO3S MolecularWeight: 535.86488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCCCC1CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCCCC1CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C32H57NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-33-28-20-18-21-31(33)26-29-36-37(34,35)32-24-22-30(2)23-25-32/h22-25,31H,3-21,26-29H2,1-2H3