2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-4-pentoxyphenyl)-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enenitrile Traditional Name: 3-(4-amoxy-3-methoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C21H22ClNO4S/c1-3-4-5-12-27-20-11-6-16(14-21(20)26-2)13-19(15-23)28(24,25)18-9-7-17(22)8-10-18/h6-11,13-14H,3-5,12H2,1-2H3