2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H22N4O5S/c26-21-16-3-1-2-4-17(16)22-20(23-21)14-24-7-9-25(10-8-24)31(27,28)15-5-6-18-19(13-15)30-12-11-29-18/h1-6,13H,7-12,14H2,(H,22,23,26)