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

Systemtic Name: 2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-prop-2-enyl-amino]-3-oxidanylidene-heptanamide Openeye Name: 2-[allyl-[[3-(difluoromethyl)phenyl]methylsulfonyl]amino]-3-oxo-heptanamide CAS Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]-3-oxoheptanamide IUPAC Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]-3-oxoheptanamide Traditional Name: 2-[allyl-[3-(difluoromethyl)benzyl]sulfonyl-amino]-3-keto-enanthamide Formula: C18H24F2N2O4S MolecularWeight: 402.455966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F2N2O4S/c1-3-5-9-15(23)16(18(21)24)22(10-4-2)27(25,26)12-13-7-6-8-14(11-13)17(19)20/h4,6-8,11,16-17H,2-3,5,9-10,12H2,1H3,(H2,21,24)