(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-tosyl-acrylonitrile Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5S/c1-12-3-5-14(6-4-12)25(20,21)15(10-19)7-13-8-16(22-2)18-17(9-13)23-11-24-18/h3-9H,11H2,1-2H3/b15-7+