3-[4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-isopentyloxyphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-isoamoxyphenyl)-2-tosyl-acrylonitrile Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCCC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCCC(C)C)C#N

InChI

InChI=1S/C21H23NO3S/c1-16(2)12-13-25-19-8-6-18(7-9-19)14-21(15-22)26(23,24)20-10-4-17(3)5-11-20/h4-11,14,16H,12-13H2,1-3H3