3-(3-methoxy-4-pentoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-methoxy-4-pentoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-pentoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enenitrile Traditional Name: 3-(4-amoxy-3-methoxy-phenyl)-2-besyl-acrylonitrile Formula: C21H23NO4S MolecularWeight: 385.47662

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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=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-3-4-8-13-26-20-12-11-17(15-21(20)25-2)14-19(16-22)27(23,24)18-9-6-5-7-10-18/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3