3-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)acrylonitrile Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)Br)OC(C)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)Br)OC(C)C

InChI

InChI=1S/C20H20BrNO4S/c1-4-25-19-11-15(18(21)12-20(19)26-14(2)3)10-17(13-22)27(23,24)16-8-6-5-7-9-16/h5-12,14H,4H2,1-3H3