2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[3-(1-piperidyl)propoxy]phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[3-(1-piperidinyl)propoxy]phenyl]ethyl ester IUPAC Name: 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(3-piperidinopropoxy)phenyl]ethyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)OCCCN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)OCCCN3CCCCC3

InChI

InChI=1S/C23H31NO4S/c1-20-6-12-23(13-7-20)29(25,26)28-19-14-21-8-10-22(11-9-21)27-18-5-17-24-15-3-2-4-16-24/h6-13H,2-5,14-19H2,1H3