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

Systemtic Name: cyclopropyl-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]methanone Formula: C16H21FN2O3S MolecularWeight: 340.412943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3CC3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3CC3)F

InChI

InChI=1S/C16H21FN2O3S/c1-23(21,22)13-5-6-15(14(17)11-13)18-7-2-8-19(10-9-18)16(20)12-3-4-12/h5-6,11-12H,2-4,7-10H2,1H3