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

Systemtic Name: 3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(4-bromobenzyl)oxy-3-ethoxy-phenyl]-2-tosyl-acrylonitrile Formula: C25H22BrNO4S MolecularWeight: 512.41548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO4S/c1-3-30-25-15-20(8-13-24(25)31-17-19-6-9-21(26)10-7-19)14-23(16-27)32(28,29)22-11-4-18(2)5-12-22/h4-15H,3,17H2,1-2H3