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

Systemtic Name: 6-(3-bromophenyl)-N-butyl-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-sulfonamide Openeye Name: 6-(3-bromophenyl)-N-butyl-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide CAS Name: 6-(3-bromophenyl)-N-butyl-9-fluoro-3-benzo[b][1,4]benzothiazepinesulfonamide IUPAC Name: 6-(3-bromophenyl)-N-butyl-9-fluorobenzo[b][1,4]benzothiazepine-3-sulfonamide Traditional Name: 6-(3-bromophenyl)-N-butyl-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide Formula: C23H20BrFN2O2S2 MolecularWeight: 519.449503

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrFN2O2S2/c1-2-3-11-26-31(28,29)18-8-10-21-20(14-18)27-23(15-5-4-6-16(24)12-15)19-9-7-17(25)13-22(19)30-21/h4-10,12-14,26H,2-3,11H2,1H3