6-[4,4-bis(fluoranyl)piperidin-1-yl]-N-[(3-chlorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-[4,4-bis(fluoranyl)piperidin-1-yl]-N-[(3-chlorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(4,4-difluoro-1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-6-(4,4-difluoro-1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(4,4-difluoropiperidin-1-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-6-(4,4-difluoropiperidino)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H22ClF2N3OS MolecularWeight: 497.987186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(F)F)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)SC5=CC=CC=C52

Isomeric SMILES

C1CN(CCC1(F)F)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)SC5=CC=CC=C52

InChI

InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)