(Z)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (Z)-2-(benzenesulfonyl)-3-(5-bromo-2-isobutoxy-phenyl)prop-2-enenitrile CAS Name: (Z)-2-(benzenesulfonyl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(benzenesulfonyl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: (Z)-2-besyl-3-(5-bromo-2-isobutoxy-phenyl)acrylonitrile Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)/C=C(/C#N)\S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18BrNO3S/c1-14(2)13-24-19-9-8-16(20)10-15(19)11-18(12-21)25(22,23)17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3/b18-11-