3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-N-oxidanyl-6-sulfonyl-thiomorpholine-3-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-N-oxidanyl-6-sulfonyl-thiomorpholine-3-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2,2,5-trimethyl-6-sulfonyl-3-thiomorpholinecarboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2,2,5-trimethyl-6-sulfonylthiomorpholine-3-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carbohydroxamic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(SC(=S(=O)=O)C(N2)C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(SC(=S(=O)=O)C(N2)C)(C)C)C(=O)NO

InChI

InChI=1S/C18H22N2O5S2/c1-5-6-11-25-14-9-7-13(8-10-14)18(16(21)20-22)17(3,4)26-15(27(23)24)12(2)19-18/h7-10,12,19,22H,11H2,1-4H3,(H,20,21)