(E)-N-cyclopropyl-4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enamide

Systemtic Name: (E)-N-cyclopropyl-4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enamide Openeye Name: (E)-N-cyclopropyl-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enamide CAS Name: (E)-N-cyclopropyl-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-butenamide IUPAC Name: (E)-N-cyclopropyl-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enamide Traditional Name: (E)-N-cyclopropyl-4-keto-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]but-2-enamide Formula: C18H20F3N3O4S MolecularWeight: 431.42931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O4S/c19-18(20,21)13-2-1-3-15(12-13)29(27,28)24-10-8-23(9-11-24)17(26)7-6-16(25)22-14-4-5-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,22,25)/b7-6+