N-tert-butyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-tert-butyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-tert-butyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-tert-butyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-tert-butyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]propionamide Formula: C18H26F3N3O4S MolecularWeight: 437.47695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H26F3N3O4S/c1-13(16(25)22-17(2,3)4)23-9-11-24(12-10-23)29(26,27)15-7-5-14(6-8-15)28-18(19,20)21/h5-8,13H,9-12H2,1-4H3,(H,22,25)