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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S/c1-27(25,26)18-5-3-15(4-6-18)14-22-7-2-8-23(10-9-22)19(24)16-11-17(20)13-21-12-16/h3-6,11-13H,2,7-10,14H2,1H3