1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-morpholin-4-yl-butane-1,4-dione

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-morpholin-4-yl-butane-1,4-dione Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-morpholino-butane-1,4-dione CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-(4-morpholinyl)butane-1,4-dione IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4-morpholino-butane-1,4-dione Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCOCC4)OC1

InChI

InChI=1S/C21H29N3O7S/c25-20(4-5-21(26)23-10-14-29-15-11-23)22-6-8-24(9-7-22)32(27,28)17-2-3-18-19(16-17)31-13-1-12-30-18/h2-3,16H,1,4-15H2