1-[5-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-thienyl]ethanone Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O6S2/c1-14(23)18-5-6-19(29-18)20(24)21-7-9-22(10-8-21)30(25,26)15-3-4-16-17(13-15)28-12-2-11-27-16/h3-6,13H,2,7-12H2,1H3