1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C25H28BrN3O2S MolecularWeight: 514.47772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H28BrN3O2S/c1-32(30,31)24-9-3-20(4-10-24)18-28-13-2-14-29(16-15-28)19-22-17-27-12-11-25(22)21-5-7-23(26)8-6-21/h3-12,17H,2,13-16,18-19H2,1H3