N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-phenylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c22-21(23,24)18-9-4-10-19(16-18)31(29,30)27-14-12-26(13-15-27)20(28)25-11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2,(H,25,28)