(3-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-2-fluoro-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-2-fluorophenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-2-fluorophenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-2-fluoro-phenyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)Br)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O3S/c1-28(26,27)16-8-6-15(7-9-16)14-23-10-3-11-24(13-12-23)20(25)17-4-2-5-18(21)19(17)22/h2,4-9H,3,10-14H2,1H3