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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluoro-3-methyl-phenyl)methyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluoro-3-methylphenyl)methyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluoro-3-methylphenyl)methyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-fluoro-3-methyl-benzyl)propionamide Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5S/c1-14-11-15(3-5-17(14)21)13-22-20(24)7-8-23-29(25,26)16-4-6-18-19(12-16)28-10-2-9-27-18/h3-6,11-12,23H,2,7-10,13H2,1H3,(H,22,24)