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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(4-isoamoxy-3-methoxy-phenyl)acrylonitrile Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C21H22ClNO4S/c1-15(2)10-11-27-20-9-4-16(13-21(20)26-3)12-19(14-23)28(24,25)18-7-5-17(22)6-8-18/h4-9,12-13,15H,10-11H2,1-3H3