[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-(5-phenyl-1H-pyrazol-4-yl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-(5-phenyl-1H-pyrazol-4-yl)methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O5S/c27-22(18-15-23-24-21(18)16-4-2-1-3-5-16)25-8-10-26(11-9-25)32(28,29)17-6-7-19-20(14-17)31-13-12-30-19/h1-7,14-15H,8-13H2,(H,23,24)