[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-morpholin-4-ylpyridin-3-yl)methanone

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-morpholin-4-ylpyridin-3-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-morpholino-3-pyridyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-[6-(4-morpholinyl)-3-pyridinyl]methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-morpholin-4-ylpyridin-3-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(6-morpholino-3-pyridyl)methanone Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CN=C(C=C4)N5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CN=C(C=C4)N5CCOCC5)OC1

InChI

InChI=1S/C23H28N4O6S/c28-23(18-2-5-22(24-17-18)25-10-14-31-15-11-25)26-6-8-27(9-7-26)34(29,30)19-3-4-20-21(16-19)33-13-1-12-32-20/h2-5,16-17H,1,6-15H2