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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

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