[2,3-bis(4-fluorophenyl)-2-methoxy-piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: [2,3-bis(4-fluorophenyl)-2-methoxy-piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid Openeye Name: [2,3-bis(4-fluorophenyl)-2-methoxy-1-piperidyl] butanoate; 4-methylbenzenesulfonic acid CAS Name: butanoic acid [2,3-bis(4-fluorophenyl)-2-methoxy-1-piperidinyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [2,3-bis(4-fluorophenyl)-2-methoxypiperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid Traditional Name: butyric acid [2,3-bis(4-fluorophenyl)-2-methoxy-piperidino] ester; tosylic acid Formula: C29H33F2NO6S MolecularWeight: 561.637226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1CCCC(C1(C2=CC=C(C=C2)F)OC)C3=CC=C(C=C3)F.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)ON1CCCC(C1(C2=CC=C(C=C2)F)OC)C3=CC=C(C=C3)F.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H25F2NO3.C7H8O3S/c1-3-5-21(26)28-25-15-4-6-20(16-7-11-18(23)12-8-16)22(25,27-2)17-9-13-19(24)14-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h7-14,20H,3-6,15H2,1-2H3;2-5H,1H3,(H,8,9,10)