1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-naphthylsulfonyl)-1,4-diazepane Formula: C21H19ClF3N3O2S MolecularWeight: 469.90767

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=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N3O2S/c22-19-13-17(21(23,24)25)14-26-20(19)27-8-3-9-28(11-10-27)31(29,30)18-7-6-15-4-1-2-5-16(15)12-18/h1-2,4-7,12-14H,3,8-11H2