3-[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-phenyl]acrylonitrile Formula: C23H17BrClNO4S MolecularWeight: 518.80738

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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)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H17BrClNO4S/c1-29-22-13-17(11-20(14-26)31(27,28)19-5-3-2-4-6-19)12-21(24)23(22)30-15-16-7-9-18(25)10-8-16/h2-13H,15H2,1H3