(3-bromanyl-5-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-5-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-5-fluoro-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-5-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-5-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-5-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=CC(=CC(=C3)Br)F

Isomeric SMILES

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

InChI

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