2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-prop-2-enyl-amino]-3-oxidanylidene-pentanamide

Systemtic Name: 2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-prop-2-enyl-amino]-3-oxidanylidene-pentanamide Openeye Name: 2-[allyl-[[3-(difluoromethyl)phenyl]methylsulfonyl]amino]-3-oxo-pentanamide CAS Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]-3-oxopentanamide IUPAC Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]-3-oxopentanamide Traditional Name: 2-[allyl-[3-(difluoromethyl)benzyl]sulfonyl-amino]-3-keto-valeramide Formula: C16H20F2N2O4S MolecularWeight: 374.402806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)N)N(CC=C)S(=O)(=O)CC1=CC(=CC=C1)C(F)F

Isomeric SMILES

CCC(=O)C(C(=O)N)N(CC=C)S(=O)(=O)CC1=CC(=CC=C1)C(F)F

InChI

InChI=1S/C16H20F2N2O4S/c1-3-8-20(14(16(19)22)13(21)4-2)25(23,24)10-11-6-5-7-12(9-11)15(17)18/h3,5-7,9,14-15H,1,4,8,10H2,2H3,(H2,19,22)