N-(4-chloranyl-2-fluoranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)F)OC1

InChI

InChI=1S/C18H18ClFN2O5S/c19-12-2-4-15(14(20)10-12)22-18(23)6-7-21-28(24,25)13-3-5-16-17(11-13)27-9-1-8-26-16/h2-5,10-11,21H,1,6-9H2,(H,22,23)