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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]ethanone Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7S/c1-17(27)18-4-6-21(31-2)19(14-18)15-24(28)25-8-10-26(11-9-25)34(29,30)20-5-7-22-23(16-20)33-13-3-12-32-22/h4-7,14,16H,3,8-13,15H2,1-2H3