3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-(3,5-dimethylbenzyl)oxy-3-ethoxy-phenyl]acrylonitrile Formula: C26H25NO4S MolecularWeight: 447.546

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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(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-4-30-26-16-21(15-24(17-27)32(28,29)23-8-6-5-7-9-23)10-11-25(26)31-18-22-13-19(2)12-20(3)14-22/h5-16H,4,18H2,1-3H3