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

Systemtic Name: 3-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-ethoxy-4-(o-tolylmethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-ethoxy-4-(2-methylbenzyl)oxy-phenyl]acrylonitrile Formula: C25H23NO4S MolecularWeight: 433.51942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=CC=C3C

InChI

InChI=1S/C25H23NO4S/c1-3-29-25-16-20(13-14-24(25)30-18-21-10-8-7-9-19(21)2)15-23(17-26)31(27,28)22-11-5-4-6-12-22/h4-16H,3,18H2,1-2H3