3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-tosyl-acrylonitrile Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

InChI

InChI=1S/C18H15NO4S/c1-13-2-5-15(6-3-13)24(20,21)16(12-19)10-14-4-7-17-18(11-14)23-9-8-22-17/h2-7,10-11H,8-9H2,1H3