3-[[2-[bis(fluoranyl)methoxy]phenyl]methylsulfonyl]-N-[1-(4-methylsulfonylpiperazin-1-yl)-1,2-bis(oxidanylidene)pentan-3-yl]propanamide

Systemtic Name: 3-[[2-[bis(fluoranyl)methoxy]phenyl]methylsulfonyl]-N-[1-(4-methylsulfonylpiperazin-1-yl)-1,2-bis(oxidanylidene)pentan-3-yl]propanamide Openeye Name: 3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-N-[1-ethyl-3-(4-methylsulfonylpiperazin-1-yl)-2,3-dioxo-propyl]propanamide CAS Name: 3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-N-[1-(4-methylsulfonyl-1-piperazinyl)-1,2-dioxopentan-3-yl]propanamide IUPAC Name: 3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-N-[1-(4-methylsulfonylpiperazin-1-yl)-1,2-dioxopentan-3-yl]propanamide Traditional Name: 3-[2-(difluoromethoxy)benzyl]sulfonyl-N-[1-ethyl-2,3-diketo-3-(4-mesylpiperazino)propyl]propionamide Formula: C21H29F2N3O8S2 MolecularWeight: 553.597066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)N1CCN(CC1)S(=O)(=O)C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2OC(F)F

Isomeric SMILES

CCC(C(=O)C(=O)N1CCN(CC1)S(=O)(=O)C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2OC(F)F

InChI

InChI=1S/C21H29F2N3O8S2/c1-3-16(19(28)20(29)25-9-11-26(12-10-25)35(2,30)31)24-18(27)8-13-36(32,33)14-15-6-4-5-7-17(15)34-21(22)23/h4-7,16,21H,3,8-14H2,1-2H3,(H,24,27)