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

Systemtic Name: 5-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(2,3,4-trifluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(2,3,4-trifluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(2,3,4-trifluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(2,3,4-trifluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C15H12F3NO2S2 MolecularWeight: 359.38649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3NO2S2/c16-10-6-7-13(15(18)14(10)17)23(20,21)19-8-3-9-22-12-5-2-1-4-11(12)19/h1-2,4-7H,3,8-9H2