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

Systemtic Name: (3S,6S)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: (3S,6S)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S,6S)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2,6-trimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S,6S)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2,6-trimethylthiomorpholine-3-carboxamide Traditional Name: (3S,6S)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,6-trimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](SC([C@@H]2C(=O)NO)(C)C)C

InChI

InChI=1S/C18H24N2O5S2/c1-5-6-11-25-14-7-9-15(10-8-14)27(23,24)20-12-13(2)26-18(3,4)16(20)17(21)19-22/h7-10,13,16,22H,11-12H2,1-4H3,(H,19,21)/t13-,16-/m0/s1