[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-[2-(2-methylpropylsulfanyl)-5-methylsulfonyl-phenyl]methanone

Systemtic Name: [4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-[2-(2-methylpropylsulfanyl)-5-methylsulfonyl-phenyl]methanone Openeye Name: [4-(2-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]-(2-isobutylsulfanyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(2-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]-[2-(2-methylpropylthio)-5-methylsulfonylphenyl]methanone IUPAC Name: [4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-[2-(2-methylpropylsulfanyl)-5-methylsulfonylphenyl]methanone Traditional Name: [4-(2-fluoro-4-mesyl-phenyl)piperazino]-[2-(isobutylthio)-5-mesyl-phenyl]methanone Formula: C23H29FN2O5S3 MolecularWeight: 528.680163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C23H29FN2O5S3/c1-16(2)15-32-22-8-6-17(33(3,28)29)13-19(22)23(27)26-11-9-25(10-12-26)21-7-5-18(14-20(21)24)34(4,30)31/h5-8,13-14,16H,9-12,15H2,1-4H3