1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C20H24ClFN2O2S MolecularWeight: 410.933163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H24ClFN2O2S/c1-27(25,26)18-6-3-16(4-7-18)14-23-9-2-10-24(12-11-23)15-17-5-8-20(22)19(21)13-17/h3-8,13H,2,9-12,14-15H2,1H3