2-(5-bromanylpyridin-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-bromo-3-pyridyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-bromo-3-pyridinyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-bromopyridin-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-bromo-3-pyridyl)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-28(26,27)19-5-3-16(4-6-19)15-23-7-2-8-24(10-9-23)20(25)12-17-11-18(21)14-22-13-17/h3-6,11,13-14H,2,7-10,12,15H2,1H3