3-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]acrylonitrile Formula: C23H17ClFNO4S MolecularWeight: 457.901783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C23H17ClFNO4S/c1-29-23-10-7-16(11-17(23)15-30-18-8-9-22(25)21(24)13-18)12-20(14-26)31(27,28)19-5-3-2-4-6-19/h2-13H,15H2,1H3