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

Systemtic Name: 2-[1-(triphenylmethyl)piperidin-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-trityl-4-piperidyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(triphenylmethyl)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-tritylpiperidin-4-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-trityl-4-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)OCCC2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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