4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-(2-methylpropanoyl)-N-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-(2-methylpropanoyl)-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-(2-methylpropanoyl)piperidine-4-carbohydroxamic acid CAS Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-isobutyryl-piperidine-4-carbohydroxamic acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)C(C)C)C(=O)NO

Isomeric SMILES

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)C(C)C)C(=O)NO

InChI

InChI=1S/C21H29N3O5S/c1-4-5-12-22-17-6-8-18(9-7-17)30(28,29)15-21(20(26)23-27)10-13-24(14-11-21)19(25)16(2)3/h6-9,16,22,27H,10-15H2,1-3H3,(H,23,26)