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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C20H23FN2O3S/c1-15-6-3-4-7-17(15)20(24)23-11-5-10-22(12-13-23)19-9-8-16(14-18(19)21)27(2,25)26/h3-4,6-9,14H,5,10-13H2,1-2H3