4-[4-(4-butoxy-3-methyl-phenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-oxane-4-carboxamide

Systemtic Name: 4-[4-(4-butoxy-3-methyl-phenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-oxane-4-carboxamide Openeye Name: 4-[4-(4-butoxy-3-methyl-phenyl)piperazin-1-yl]sulfonyltetrahydropyran-4-carbohydroxamic acid CAS Name: 4-[[4-(4-butoxy-3-methylphenyl)-1-piperazinyl]sulfonyl]-N-hydroxy-4-oxanecarboxamide IUPAC Name: 4-[4-(4-butoxy-3-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide Traditional Name: 4-[4-(4-butoxy-3-methyl-phenyl)piperazino]sulfonyltetrahydropyran-4-carbohydroxamic acid Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)NO)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)NO)C

InChI

InChI=1S/C21H33N3O6S/c1-3-4-13-30-19-6-5-18(16-17(19)2)23-9-11-24(12-10-23)31(27,28)21(20(25)22-26)7-14-29-15-8-21/h5-6,16,26H,3-4,7-15H2,1-2H3,(H,22,25)