4-methylbenzenesulfonic acid; propyl 4-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]butanoate

Systemtic Name: 4-methylbenzenesulfonic acid; propyl 4-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]butanoate Openeye Name: 4-methylbenzenesulfonic acid; propyl 4-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]butanoate CAS Name: 4-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]butanoic acid propyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; propyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate Traditional Name: 4-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]butyric acid propyl ester; tosylic acid Formula: C31H39ClN2O6S MolecularWeight: 603.16916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H31ClN2O3.C7H8O3S/c1-2-18-29-23(28)7-5-15-27-16-12-21(13-17-27)30-24(22-6-3-4-14-26-22)19-8-10-20(25)11-9-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6,8-11,14,21,24H,2,5,7,12-13,15-18H2,1H3;2-5H,1H3,(H,8,9,10)