(4-chlorophenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chlorophenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]methanone Formula: C19H20ClFN2O3S MolecularWeight: 410.890103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C19H20ClFN2O3S/c1-27(25,26)16-7-8-18(17(21)13-16)22-9-2-10-23(12-11-22)19(24)14-3-5-15(20)6-4-14/h3-8,13H,2,9-12H2,1H3