(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2Br)OC)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2Br)OC)O)/C#N

InChI

InChI=1S/C17H14BrNO4S/c1-11-3-5-13(6-4-11)24(21,22)14(10-19)7-12-8-16(20)17(23-2)9-15(12)18/h3-9,20H,1-2H3/b14-7+