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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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