2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O5S/c22-15-17-3-1-2-4-20(17)30(26,27)24-9-7-23(8-10-24)21(25)14-16-5-6-18-19(13-16)29-12-11-28-18/h1-6,13H,7-12,14H2