4-[bis(fluoranyl)methylsulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(difluoromethylthio)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C21H24F2N2O4S2 MolecularWeight: 470.553066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24F2N2O4S2/c1-2-29-18-11-8-16(14-19(18)31(27,28)25-12-4-3-5-13-25)24-20(26)15-6-9-17(10-7-15)30-21(22)23/h6-11,14,21H,2-5,12-13H2,1H3,(H,24,26)