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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-pentanoyl-piperazine-2-carboxamide Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-pentanoyl-piperazine-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(1-oxopentyl)-2-piperazinecarboxamide IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-pentanoylpiperazine-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-valeryl-piperazine-2-carbohydroxamic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-3-5-7-19(24)22-12-13-23(18(15-22)20(25)21-26)30(27,28)17-10-8-16(9-11-17)29-14-6-4-2/h8-11,18,26H,3,5,7,12-15H2,1-2H3,(H,21,25)