(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C19H17BrFNO4S MolecularWeight: 454.309983

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C19H17BrFNO4S/c1-3-8-26-19-17(20)10-13(11-18(19)25-2)9-16(12-22)27(23,24)15-6-4-14(21)5-7-15/h4-7,9-11H,3,8H2,1-2H3/b16-9+