(2-bromanyl-4-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C19H20BrFN2O3S/c1-14-3-6-16(7-4-14)27(25,26)23-10-2-9-22(11-12-23)19(24)17-8-5-15(21)13-18(17)20/h3-8,13H,2,9-12H2,1H3