N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H19F3N4O5S MolecularWeight: 484.44887

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N4O5S/c1-12(28)25-14-5-6-17(16(10-14)20(21,22)23)26-19(30)13-3-2-4-15(9-13)33(31,32)27-8-7-24-18(29)11-27/h2-6,9-10H,7-8,11H2,1H3,(H,24,29)(H,25,28)(H,26,30)