4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenyl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-fluoro-4-mesyl-phenyl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C19H22FN3O3S MolecularWeight: 391.459683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3)F

InChI

InChI=1S/C19H22FN3O3S/c1-27(25,26)16-8-9-18(17(20)14-16)22-10-5-11-23(13-12-22)19(24)21-15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H,21,24)