[1-(triphenylmethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(triphenylmethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: (1-trityl-3-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(triphenylmethyl)-3-piperidinyl]methyl ester IUPAC Name: (1-tritylpiperidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-trityl-3-piperidyl)methyl ester Formula: C32H33NO3S MolecularWeight: 511.67432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33NO3S/c1-26-19-21-31(22-20-26)37(34,35)36-25-27-12-11-23-33(24-27)32(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-10,13-22,27H,11-12,23-25H2,1H3