1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(2-naphthylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(2-naphthalenylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(2-naphthylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C21H20F3N3O2S MolecularWeight: 435.46261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)18-7-9-20(25-15-18)26-10-3-11-27(13-12-26)30(28,29)19-8-6-16-4-1-2-5-17(16)14-19/h1-2,4-9,14-15H,3,10-13H2