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

Systemtic Name: N-butyl-6-(4-chlorophenyl)-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-sulfonamide Openeye Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide CAS Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-3-benzo[b][1,4]benzothiazepinesulfonamide IUPAC Name: N-butyl-6-(4-chlorophenyl)-9-fluorobenzo[b][1,4]benzothiazepine-3-sulfonamide Traditional Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-benzo[b][1,4]benzothiazepine-3-sulfonamide Formula: C23H20ClFN2O2S2 MolecularWeight: 474.998503

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClFN2O2S2/c1-2-3-12-26-31(28,29)18-9-11-21-20(14-18)27-23(15-4-6-16(24)7-5-15)19-10-8-17(25)13-22(19)30-21/h4-11,13-14,26H,2-3,12H2,1H3