2-[4-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,3-dihydro-p-dioxin-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=COCCO2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=COCCO2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H17N3O5S/c17-11-13-3-1-2-4-15(13)25(21,22)19-7-5-18(6-8-19)16(20)14-12-23-9-10-24-14/h1-4,12H,5-10H2