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

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

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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)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C

InChI

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