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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C=C(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

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