[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone Formula: C19H18ClF3N2O3S MolecularWeight: 446.87103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClF3N2O3S/c20-17-8-7-15(13-16(17)19(21,22)23)29(27,28)25-10-4-9-24(11-12-25)18(26)14-5-2-1-3-6-14/h1-3,5-8,13H,4,9-12H2