4-(4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O3S/c1-30(28,29)18-8-6-17(7-9-18)25-10-3-11-26(13-12-25)19(27)24-16-5-2-4-15(14-16)20(21,22)23/h2,4-9,14H,3,10-13H2,1H3,(H,24,27)