2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C23H21N5O5S/c24-14-17-3-1-2-4-21(17)34(30,31)28-9-7-27(8-10-28)23(29)18-15-25-26-22(18)16-5-6-19-20(13-16)33-12-11-32-19/h1-6,13,15H,7-12H2,(H,25,26)