N-butyl-6-(2,4-dichlorophenyl)-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-sulfonamide

Systemtic Name: N-butyl-6-(2,4-dichlorophenyl)-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-sulfonamide Openeye Name: N-butyl-6-(2,4-dichlorophenyl)-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide CAS Name: N-butyl-6-(2,4-dichlorophenyl)-9-fluoro-3-benzo[b][1,4]benzothiazepinesulfonamide IUPAC Name: N-butyl-6-(2,4-dichlorophenyl)-9-fluorobenzo[b][1,4]benzothiazepine-3-sulfonamide Traditional Name: N-butyl-6-(2,4-dichlorophenyl)-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide Formula: C23H19Cl2FN2O2S2 MolecularWeight: 509.443563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C(=N2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C(=N2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H19Cl2FN2O2S2/c1-2-3-10-27-32(29,30)16-6-9-21-20(13-16)28-23(17-7-4-14(24)11-19(17)25)18-8-5-15(26)12-22(18)31-21/h4-9,11-13,27H,2-3,10H2,1H3