2-[1-[1-(3-methylsulfonylphenyl)carbonylpiperidin-4-yl]piperidin-4-yl]oxy-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[1-[1-(3-methylsulfonylphenyl)carbonylpiperidin-4-yl]piperidin-4-yl]oxy-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[[1-[1-(3-methylsulfonylbenzoyl)-4-piperidyl]-4-piperidyl]oxy]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[[1-[1-[(3-methylsulfonylphenyl)-oxomethyl]-4-piperidinyl]-4-piperidinyl]oxy]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[1-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]piperidin-4-yl]oxy-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[[1-[1-(3-mesylbenzoyl)-4-piperidyl]-4-piperidyl]oxy]-5-(trifluoromethyl)benzonitrile Formula: C26H28F3N3O4S MolecularWeight: 535.57843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)N3CCC(CC3)OC4=C(C=C(C=C4)C(F)(F)F)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)N3CCC(CC3)OC4=C(C=C(C=C4)C(F)(F)F)C#N

InChI

InChI=1S/C26H28F3N3O4S/c1-37(34,35)23-4-2-3-18(16-23)25(33)32-11-7-21(8-12-32)31-13-9-22(10-14-31)36-24-6-5-20(26(27,28)29)15-19(24)17-30/h2-6,15-16,21-22H,7-14H2,1H3