1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-propanoyl-piperazine-2-carboxamide

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-propanoyl-piperazine-2-carboxamide Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propanoyl-piperazine-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(1-oxopropyl)-2-piperazinecarboxamide IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-propanoylpiperazine-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propionyl-piperazine-2-carbohydroxamic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C18H23N3O6S/c1-3-5-12-27-14-6-8-15(9-7-14)28(25,26)21-11-10-20(17(22)4-2)13-16(21)18(23)19-24/h6-9,16,24H,4,10-13H2,1-2H3,(H,19,23)