(E)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-tosyl-acrylonitrile Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C17H13NO4S/c1-12-2-5-14(6-3-12)23(19,20)15(10-18)8-13-4-7-16-17(9-13)22-11-21-16/h2-9H,11H2,1H3/b15-8+