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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylonitrile Formula: C16H12BrNO4S MolecularWeight: 394.23978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO4S/c1-22-15-9-11(8-14(17)16(15)19)7-13(10-18)23(20,21)12-5-3-2-4-6-12/h2-9,19H,1H3