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

Systemtic Name: 3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[4-[3-(1-piperidyl)propoxy]phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-[3-(1-piperidinyl)propoxy]phenyl]propyl ester IUPAC Name: 3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[4-(3-piperidinopropoxy)phenyl]propyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)OCCCN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)OCCCN3CCCCC3

InChI

InChI=1S/C24H33NO4S/c1-21-8-14-24(15-9-21)30(26,27)29-20-5-7-22-10-12-23(13-11-22)28-19-6-18-25-16-3-2-4-17-25/h8-15H,2-7,16-20H2,1H3