(3S)-2,2-dimethyl-N-oxidanyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S)-2,2-dimethyl-N-oxidanyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-thiomorpholine-3-carboxamide Openeye Name: (3S)-2,2-dimethyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-2,2-dimethyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-3-thiomorpholinecarboxamide IUPAC Name: (3S)-N-hydroxy-2,2-dimethyl-4-(4-penta-2,4-diynoxyphenyl)sulfonylthiomorpholine-3-carboxamide Traditional Name: (3S)-2,2-dimethyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-thiomorpholine-3-carbohydroxamic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC#C)C(=O)NO)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC#C)C(=O)NO)C

InChI

InChI=1S/C18H20N2O5S2/c1-4-5-6-12-25-14-7-9-15(10-8-14)27(23,24)20-11-13-26-18(2,3)16(20)17(21)19-22/h1,7-10,16,22H,11-13H2,2-3H3,(H,19,21)/t16-/m0/s1