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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C19H19F3N2O5S MolecularWeight: 444.42477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-2-4-14(5-3-13)24-18(25)8-9-23-30(26,27)15-6-7-16-17(12-15)29-11-1-10-28-16/h2-7,12,23H,1,8-11H2,(H,24,25)