3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-(4-bromobenzyl)oxyphenyl]acrylonitrile Formula: C22H16BrNO3S MolecularWeight: 454.33634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C22H16BrNO3S/c23-19-10-6-18(7-11-19)16-27-20-12-8-17(9-13-20)14-22(15-24)28(25,26)21-4-2-1-3-5-21/h1-14H,16H2