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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CNC4=S)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CNC4=S)OC1

InChI

InChI=1S/C19H21N3O5S2/c23-19(15-3-1-6-20-18(15)28)21-7-9-22(10-8-21)29(24,25)14-4-5-16-17(13-14)27-12-2-11-26-16/h1,3-6,13H,2,7-12H2,(H,20,28)