1-ethynyl-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-N-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 1-ethynyl-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 1-ethynyl-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-piperidine-4-carbohydroxamic acid CAS Name: 1-ethynyl-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-ethynyl-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-ethynyl-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-piperidine-4-carbohydroxamic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(CCN(CC3)C#C)C(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(CCN(CC3)C#C)C(=O)NO

InChI

InChI=1S/C21H22N2O6S/c1-3-23-14-12-21(13-15-23,20(24)22-25)30(26,27)19-10-8-18(9-11-19)29-17-6-4-16(28-2)5-7-17/h1,4-11,25H,12-15H2,2H3,(H,22,24)