3-(4-hexoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(4-hexoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-hexoxyphenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-hexoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-hexoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-hexoxyphenyl)acrylonitrile Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO3S/c1-2-3-4-8-15-25-19-13-11-18(12-14-19)16-21(17-22)26(23,24)20-9-6-5-7-10-20/h5-7,9-14,16H,2-4,8,15H2,1H3