3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzonitrile Traditional Name: 3-[[3-(methylaminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]benzonitrile Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N2O4S/c1-19-10-13-11-22-16-6-5-15(8-17(16)23-13)24(20,21)14-4-2-3-12(7-14)9-18/h2-8,13,19H,10-11H2,1H3