N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-butanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-butanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-butanamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylbutanamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylbutanamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-butyramide Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24ClFN2O5S/c1-25(14-16-17(22)5-2-6-18(16)23)21(26)7-3-10-24-31(27,28)15-8-9-19-20(13-15)30-12-4-11-29-19/h2,5-6,8-9,13,24H,3-4,7,10-12,14H2,1H3