(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: [4-methyl-3-(1-piperidylsulfonyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C23H27F3N4O3S MolecularWeight: 496.54569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27F3N4O3S/c1-17-5-6-18(15-20(17)34(32,33)30-9-3-2-4-10-30)22(31)29-13-11-28(12-14-29)21-8-7-19(16-27-21)23(24,25)26/h5-8,15-16H,2-4,9-14H2,1H3