1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]pyrrolidine-2,5-dione CAS Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-keto-propyl]pyrrolidine-2,5-quinone Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C(=O)CCC4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C(=O)CCC4=O)OC1

InChI

InChI=1S/C20H25N3O7S/c24-18(6-7-23-19(25)4-5-20(23)26)21-8-10-22(11-9-21)31(27,28)15-2-3-16-17(14-15)30-13-1-12-29-16/h2-3,14H,1,4-13H2