N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-phenylprop-2-ynyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)18-8-10-19(11-9-18)31(29,30)27-15-13-26(14-16-27)20(28)25-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,12-16H2,(H,25,28)