2-[1-(triphenylmethyl)piperidin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(triphenylmethyl)piperidin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-trityl-2-piperidyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(triphenylmethyl)-2-piperidinyl]ethyl ester IUPAC Name: 2-(1-tritylpiperidin-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-trityl-2-piperidyl)ethyl ester Formula: C33H35NO3S MolecularWeight: 525.7009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35NO3S/c1-27-20-22-32(23-21-27)38(35,36)37-26-24-31-19-11-12-25-34(31)33(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-10,13-18,20-23,31H,11-12,19,24-26H2,1H3