1-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Formula: C17H25FN2O3S MolecularWeight: 356.455403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)F

InChI

InChI=1S/C17H25FN2O3S/c1-17(2,3)16(21)20-9-5-8-19(10-11-20)15-7-6-13(12-14(15)18)24(4,22)23/h6-7,12H,5,8-11H2,1-4H3