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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COCC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H27N3O7S/c1-27-14-18(23)20-6-5-19(24)21-7-9-22(10-8-21)30(25,26)15-3-4-16-17(13-15)29-12-2-11-28-16/h3-4,13H,2,5-12,14H2,1H3,(H,20,23)