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

Systemtic Name: 3-[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(3-chlorobenzyl)oxy-3-methoxy-phenyl]-2-tosyl-acrylonitrile Formula: C24H20ClNO4S MolecularWeight: 453.9379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)OC)C#N

InChI

InChI=1S/C24H20ClNO4S/c1-17-6-9-21(10-7-17)31(27,28)22(15-26)13-18-8-11-23(24(14-18)29-2)30-16-19-4-3-5-20(25)12-19/h3-14H,16H2,1-2H3