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

Systemtic Name: 3-(3-methoxy-4-phenethyloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-phenethyloxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-phenethyloxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-methoxy-4-phenethyloxy-phenyl)acrylonitrile Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H21NO4S/c1-28-24-17-20(12-13-23(24)29-15-14-19-8-4-2-5-9-19)16-22(18-25)30(26,27)21-10-6-3-7-11-21/h2-13,16-17H,14-15H2,1H3