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

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

Isomeric SMILES

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

InChI

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