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

Systemtic Name: 1-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C20H23FN2O3S/c1-27(25,26)17-8-9-19(18(21)15-17)22-10-5-11-23(13-12-22)20(24)14-16-6-3-2-4-7-16/h2-4,6-9,15H,5,10-14H2,1H3