2-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[4-[[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[4-[2-(cyclobutylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[4-[2-(cyclobutylmethoxy)-5-mesyl-benzoyl]piperazino]-5-(trifluoromethyl)benzonitrile Formula: C25H26F3N3O4S MolecularWeight: 521.55185

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)C#N

InChI

InChI=1S/C25H26F3N3O4S/c1-36(33,34)20-6-8-23(35-16-17-3-2-4-17)21(14-20)24(32)31-11-9-30(10-12-31)22-7-5-19(25(26,27)28)13-18(22)15-29/h5-8,13-14,17H,2-4,9-12,16H2,1H3