N-[azanyl-[4-[[1-(7-ethoxy-2-propyl-1-benzofuran-5-yl)-2-oxidanylidene-2-(sulfamoylamino)ethyl]amino]phenyl]methylidene]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[azanyl-[4-[[1-(7-ethoxy-2-propyl-1-benzofuran-5-yl)-2-oxidanylidene-2-(sulfamoylamino)ethyl]amino]phenyl]methylidene]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[amino-[4-[[1-(7-ethoxy-2-propyl-benzofuran-5-yl)-2-oxo-2-(sulfamoylamino)ethyl]amino]phenyl]methylene]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[amino-[4-[[1-(7-ethoxy-2-propyl-5-benzofuranyl)-2-oxo-2-(sulfamoylamino)ethyl]amino]phenyl]methylidene]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[amino-[4-[[1-(7-ethoxy-2-propyl-1-benzofuran-5-yl)-2-oxo-2-(sulfamoylamino)ethyl]amino]phenyl]methylidene]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[amino-[4-[[1-(7-ethoxy-2-propyl-benzofuran-5-yl)-2-keto-2-(sulfamoylamino)ethyl]amino]phenyl]methylene]-3,5-bis(trifluoromethyl)benzamide Formula: C31H29F6N5O6S MolecularWeight: 713.647279

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC(=CC(=C2O1)OCC)C(C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

CCCC1=CC2=CC(=CC(=C2O1)OCC)C(C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C31H29F6N5O6S/c1-3-5-23-13-18-10-17(14-24(47-4-2)26(18)48-23)25(29(44)42-49(39,45)46)40-22-8-6-16(7-9-22)27(38)41-28(43)19-11-20(30(32,33)34)15-21(12-19)31(35,36)37/h6-15,25,40H,3-5H2,1-2H3,(H,42,44)(H2,38,41,43)(H2,39,45,46)