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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4C(=O)CCC4=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)N4C(=O)CCC4=O

InChI

InChI=1S/C20H25N3O7S/c1-14(23-18(24)5-6-19(23)25)20(26)21-7-9-22(10-8-21)31(27,28)15-3-4-16-17(13-15)30-12-2-11-29-16/h3-4,13-14H,2,5-12H2,1H3