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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-2-pentoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-2-pentoxy-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-2-pentoxyphenyl)-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-2-pentoxyphenyl)prop-2-enenitrile Traditional Name: 3-(2-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=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCOC1=C(C=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

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