N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]benzenesulfonamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]benzenesulfonamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]benzenesulfonamide CAS Name: N-[(4-bromo-2-fluorophenyl)methyl]-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]benzenesulfonamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)methyl]-2-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]benzenesulfonamide Traditional Name: N-(4-bromo-2-fluoro-benzyl)-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]benzenesulfonamide Formula: C19H16BrFN2O5S MolecularWeight: 483.308143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=C(C=C(C=C2)Br)F)O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=C(C=C(C=C2)Br)F)/O

InChI

InChI=1S/C19H16BrFN2O5S/c1-2-28-19(25)15(10-22)18(24)14-5-3-4-6-17(14)29(26,27)23-11-12-7-8-13(20)9-16(12)21/h3-9,23,25H,2,11H2,1H3/b19-15+