N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H25F3N4O4S MolecularWeight: 498.51851

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C22H25F3N4O4S/c1-3-28(4-2)19-9-8-16(22(23,24)25)13-18(19)27-21(31)15-6-5-7-17(12-15)34(32,33)29-11-10-26-20(30)14-29/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,30)(H,27,31)