4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-N-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-piperidine-4-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-N-hydroxy-4-piperidinecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-N-hydroxypiperidine-4-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-but-2-ynyl-piperidine-4-carbohydroxamic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

Isomeric SMILES

CC#CCN1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

InChI

InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,11-17H2,1-2H3,(H,22,24)