2-(4-methylphenyl)sulfonyl-3-(3-pentoxyphenyl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(3-pentoxyphenyl)prop-2-enenitrile Openeye Name: 3-(3-pentoxyphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-(3-pentoxyphenyl)-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(3-pentoxyphenyl)prop-2-enenitrile Traditional Name: 3-(3-amoxyphenyl)-2-tosyl-acrylonitrile Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-3-4-5-13-25-19-8-6-7-18(14-19)15-21(16-22)26(23,24)20-11-9-17(2)10-12-20/h6-12,14-15H,3-5,13H2,1-2H3