1,3,6,7-tetramethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-xanthen-9-one

Systemtic Name: 1,3,6,7-tetramethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-xanthen-9-one Openeye Name: 1,3,6,7-tetramethoxy-4-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-xanthen-9-one CAS Name: 1,3,6,7-tetramethoxy-4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-9-xanthenone IUPAC Name: 1,3,6,7-tetramethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylxanthen-9-one Traditional Name: 1,3,6,7-tetramethoxy-4-[4-(2-pyridyl)piperazino]sulfonyl-xanthone Formula: C26H27N3O8S MolecularWeight: 541.57288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OC

InChI

InChI=1S/C26H27N3O8S/c1-33-18-13-16-17(14-19(18)34-2)37-25-23(24(16)30)20(35-3)15-21(36-4)26(25)38(31,32)29-11-9-28(10-12-29)22-7-5-6-8-27-22/h5-8,13-15H,9-12H2,1-4H3