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

Systemtic Name: 3-(3-bromanylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrFN2O4S/c21-16-3-1-4-18(15-16)28-14-9-20(25)23-10-2-11-24(13-12-23)29(26,27)19-7-5-17(22)6-8-19/h1,3-8,15H,2,9-14H2