4-methylbenzenesulfonic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine Openeye Name: 4-methylbenzenesulfonic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine CAS Name: 4-methylbenzenesulfonic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine IUPAC Name: 4-methylbenzenesulfonic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine Traditional Name: tosylic acid; 1-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine Formula: C25H32F3NO3S MolecularWeight: 483.58669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H24F3N.C7H8O3S/c19-18(20,21)16-8-4-14(5-9-16)15-6-10-17(11-7-15)22-12-2-1-3-13-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8-9,15,17H,1-3,6-7,10-13H2;2-5H,1H3,(H,8,9,10)