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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)acrylonitrile Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO4S/c1-2-23-16-10-12(9-15(18)17(16)20)8-14(11-19)24(21,22)13-6-4-3-5-7-13/h3-10,20H,2H2,1H3