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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-methyl-butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(3-fluoro-4-methyl-phenyl)methyl]-3-methyl-butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylbutanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylbutanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-fluoro-4-methyl-benzyl)-3-methyl-butyramide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C22H27FN2O5S/c1-14(2)21(22(26)24-13-16-6-5-15(3)18(23)11-16)25-31(27,28)17-7-8-19-20(12-17)30-10-4-9-29-19/h5-8,11-12,14,21,25H,4,9-10,13H2,1-3H3,(H,24,26)