3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-oxidanyl-piperidine-3-carboxamide; hydron; chloride

Systemtic Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-oxidanyl-piperidine-3-carboxamide; hydron; chloride Openeye Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-piperidine-3-carbohydroxamic acid; hydron; chloride CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-hydroxy-3-piperidinecarboxamide; hydron; chloride IUPAC Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-hydroxypiperidine-3-carboxamide; hydron; chloride Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-piperidine-3-carbohydroxamic acid; hydron; chloride Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCN1CCCC(C1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC.[Cl-]

Isomeric SMILES

[H+].CCN1CCCC(C1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC.[Cl-]

InChI

InChI=1S/C18H24N2O5S.ClH/c1-3-5-13-25-15-7-9-16(10-8-15)26(23,24)18(17(21)19-22)11-6-12-20(4-2)14-18;/h7-10,22H,4,6,11-14H2,1-2H3,(H,19,21);1H