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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C15H15ClF3N3O2S2 MolecularWeight: 425.87671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N3O2S2/c16-12-9-11(15(17,18)19)10-20-14(12)21-4-2-5-22(7-6-21)26(23,24)13-3-1-8-25-13/h1,3,8-10H,2,4-7H2