2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenyl-ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-ethyl-N-phenyl-acetamide Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO5S/c1-2-22(16-7-4-3-5-8-16)19(23)14-28(24,25)13-15-11-17(21)20-18(12-15)26-9-6-10-27-20/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3