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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(4-isobutoxy-3-methoxy-phenyl)acrylonitrile Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4S/c1-14(2)13-26-19-9-4-15(11-20(19)25-3)10-18(12-22)27(23,24)17-7-5-16(21)6-8-17/h4-11,14H,13H2,1-3H3