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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-methoxypyridin-3-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-methoxy-3-pyridyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(6-methoxy-3-pyridinyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(6-methoxypyridin-3-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(6-methoxy-3-pyridyl)methanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H23N3O6S/c1-27-19-6-3-15(14-21-19)20(24)22-7-9-23(10-8-22)30(25,26)16-4-5-17-18(13-16)29-12-2-11-28-17/h3-6,13-14H,2,7-12H2,1H3