3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-phenyl]acrylonitrile Formula: C23H17ClFNO4S MolecularWeight: 457.901783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

InChI

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