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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=CC=C1S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CCC#CCOC1=CC=CC=C1S(=O)(=O)N2CCSC([C@@H]2C(=O)NO)(C)C

InChI

InChI=1S/C18H24N2O5S2/c1-4-5-8-12-25-14-9-6-7-10-15(14)27(23,24)20-11-13-26-18(2,3)16(20)17(21)19-22/h6-7,9-10,16,22H,4,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1