4-pyrrolidin-1-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide hydrobromide

Systemtic Name: 4-pyrrolidin-1-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide hydrobromide Openeye Name: 4-pyrrolidin-1-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]isoindolin-1-ylidene]benzamide hydrobromide CAS Name: 4-(1-pyrrolidinylsulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide hydrobromide IUPAC Name: 4-pyrrolidin-1-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide hydrobromide Traditional Name: 4-pyrrolidinosulfonyl-N-[2-[3-(trifluoromethyl)phenyl]isoindolin-1-ylidene]benzamide hydrobromide Formula: C26H23BrF3N3O3S MolecularWeight: 594.44333

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN3C5=CC=CC(=C5)C(F)(F)F.Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN3C5=CC=CC(=C5)C(F)(F)F.Br

InChI

InChI=1S/C26H22F3N3O3S.BrH/c27-26(28,29)20-7-5-8-21(16-20)32-17-19-6-1-2-9-23(19)24(32)30-25(33)18-10-12-22(13-11-18)36(34,35)31-14-3-4-15-31;/h1-2,5-13,16H,3-4,14-15,17H2;1H