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

Systemtic Name: 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-(4-isobutoxy-3-methoxy-phenyl)acrylonitrile Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-15(2)14-25-19-10-9-16(12-20(19)24-3)11-18(13-21)26(22,23)17-7-5-4-6-8-17/h4-12,15H,14H2,1-3H3