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

Systemtic Name: 3-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(5-bromo-2-hydroxy-3-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(=CC(=C2O)OC)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC(=C2O)OC)Br)C#N

InChI

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