3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiin-5,6-dione IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiin-5,6-quinone Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CSC3=C(O2)C(=O)C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2CSC3=C(O2)C(=O)C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H21FN2O3S/c24-15-5-7-16(8-6-15)26-11-9-25(10-12-26)13-17-14-30-23-19-4-2-1-3-18(19)20(27)21(28)22(23)29-17/h1-8,17H,9-14H2