(4-tert-butylphenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-mesyl-phenyl)piperazino]methanone Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H27FN2O3S/c1-22(2,3)17-7-5-16(6-8-17)21(26)25-13-11-24(12-14-25)20-10-9-18(15-19(20)23)29(4,27)28/h5-10,15H,11-14H2,1-4H3