4-[1-(triphenylmethyl)piperidin-4-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[1-(triphenylmethyl)piperidin-4-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-(1-trityl-4-piperidyl)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[1-(triphenylmethyl)-4-piperidinyl]butyl ester IUPAC Name: 4-(1-tritylpiperidin-4-yl)butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(1-trityl-4-piperidyl)butyl ester Formula: C35H39NO3S MolecularWeight: 553.75406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H39NO3S/c1-29-20-22-34(23-21-29)40(37,38)39-28-12-11-13-30-24-26-36(27-25-30)35(31-14-5-2-6-15-31,32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-10,14-23,30H,11-13,24-28H2,1H3