(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-2-mesyl-acrylonitrile Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO4S/c1-23-18-10-14(9-16(11-20)25(2,21)22)5-8-17(18)24-12-13-3-6-15(19)7-4-13/h3-10H,12H2,1-2H3/b16-9+