N-(4-methylpentyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(4-methylpentyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-isohexyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(4-methylpentyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(4-methylpentyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-isohexyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C18H26F3N3O4S MolecularWeight: 437.47695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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