2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(morpholin-4-ylamino)prop-2-enenitrile

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(morpholin-4-ylamino)prop-2-enenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(morpholinoamino)prop-2-enenitrile CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(4-morpholinylamino)-2-propenenitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(morpholin-4-ylamino)prop-2-enenitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-(morpholinoamino)acrylonitrile Formula: C15H13F6N3O3S MolecularWeight: 429.337439

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC=C(C#N)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1COCCN1NC=C(C#N)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H13F6N3O3S/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)28(25,26)13(8-22)9-23-24-1-3-27-4-2-24/h5-7,9,23H,1-4H2