2-[(4-chloranyl-2-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(4-chloro-2-fluoro-N-methylsulfonyl-anilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-chloro-2-fluoro-N-mesyl-anilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H18ClFN2O5S/c1-28(24,25)22(15-5-3-12(19)9-14(15)20)11-18(23)21-13-4-6-16-17(10-13)27-8-2-7-26-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)