4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-pyridylmethyl)piperidine-4-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-pyridylmethyl)piperidine-4-carbohydroxamic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CN=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CN=CC=C3)C(=O)NO

InChI

InChI=1S/C22H25N3O5S/c1-2-3-15-30-19-6-8-20(9-7-19)31(28,29)22(21(26)24-27)10-13-25(14-11-22)17-18-5-4-12-23-16-18/h4-9,12,16,27H,10-11,13-15,17H2,1H3,(H,24,26)