3-(3-ethoxy-4-phenethyloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-ethoxy-4-phenethyloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-phenethyloxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-phenethyloxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-phenethyloxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-ethoxy-4-phenethyloxy-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)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4S/c1-2-29-25-18-21(13-14-24(25)30-16-15-20-9-5-3-6-10-20)17-23(19-26)31(27,28)22-11-7-4-8-12-22/h3-14,17-18H,2,15-16H2,1H3