5-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H13ClF3NO2S2 MolecularWeight: 407.85813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H13ClF3NO2S2/c17-13-7-6-11(10-12(13)16(18,19)20)25(22,23)21-8-3-9-24-15-5-2-1-4-14(15)21/h1-2,4-7,10H,3,8-9H2