4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

InChI

InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)