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

Systemtic Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-methoxy-ethanamide Openeye Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-methoxy-acetamide CAS Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-2-methoxyacetamide IUPAC Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methoxyacetamide Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]-2-methoxy-acetamide Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)COC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)COC

InChI

InChI=1S/C19H27N3O7S/c1-14(20-18(23)13-27-2)19(24)21-6-8-22(9-7-21)30(25,26)15-4-5-16-17(12-15)29-11-3-10-28-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,20,23)