4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbohydroxamic acid CAS Name: 4-[[4-(4-butoxyphenyl)-1-piperazinyl]sulfonyl]-N-hydroxy-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 4-[4-(4-butoxyphenyl)piperazino]sulfonyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbohydroxamic acid Formula: C25H33F3N6O5S MolecularWeight: 586.62693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C4=NC=CC(=N4)C(F)(F)F)C(=O)NO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C4=NC=CC(=N4)C(F)(F)F)C(=O)NO

InChI

InChI=1S/C25H33F3N6O5S/c1-2-3-18-39-20-6-4-19(5-7-20)32-14-16-34(17-15-32)40(37,38)24(22(35)31-36)9-12-33(13-10-24)23-29-11-8-21(30-23)25(26,27)28/h4-8,11,36H,2-3,9-10,12-18H2,1H3,(H,31,35)