2-[4-[2-(6-oxidanyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-oxidanyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(6-hydroxybenzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(6-hydroxy-3-benzofuranyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(6-hydroxybenzofuran-3-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=COC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=COC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N3O5S/c22-13-15-3-1-2-4-20(15)30(27,28)24-9-7-23(8-10-24)21(26)11-16-14-29-19-12-17(25)5-6-18(16)19/h1-6,12,14,25H,7-11H2