5-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]isoquinoline

Systemtic Name: 5-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]isoquinoline Openeye Name: 5-[4-[1-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-ethyl]-1-piperidyl]isoquinoline CAS Name: 5-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1-piperidinyl]isoquinoline IUPAC Name: 5-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]isoquinoline Traditional Name: 5-[4-[1-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-ethyl]piperidino]isoquinoline Formula: C24H25F3N2O2S MolecularWeight: 462.52771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(CC1)C2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C1CCN(CC1)C2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H25F3N2O2S/c1-23(2,32(30,31)20-7-4-6-19(15-20)24(25,26)27)18-10-13-29(14-11-18)22-8-3-5-17-16-28-12-9-21(17)22/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3