3-(4-ethanoylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4-ethanoylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C22H25FN2O5S MolecularWeight: 448.507703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-17(26)18-3-7-20(8-4-18)30-16-11-22(27)24-12-2-13-25(15-14-24)31(28,29)21-9-5-19(23)6-10-21/h3-10H,2,11-16H2,1H3