(3-fluoranyl-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (3-fluoro-4-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (3-fluoro-4-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C14H19FN2O3S MolecularWeight: 314.375663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)F

InChI

InChI=1S/C14H19FN2O3S/c1-11-4-5-12(10-13(11)15)14(18)16-6-3-7-17(9-8-16)21(2,19)20/h4-5,10H,3,6-9H2,1-2H3