N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]isoindolin-1-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]isoindolin-1-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C27H21F6N3O3S MolecularWeight: 581.529359

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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)C(F)(F)F

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)C(F)(F)F

InChI

InChI=1S/C27H21F6N3O3S/c28-26(29,30)19-13-20(27(31,32)33)15-21(14-19)36-16-18-5-1-2-6-23(18)24(36)34-25(37)17-7-9-22(10-8-17)40(38,39)35-11-3-4-12-35/h1-2,5-10,13-15H,3-4,11-12,16H2