(3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: (3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: (3S)-4-[4-(but-2-ynylamino)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC#CCNC1=CC=C(C=C1)S(=O)(=O)N2CCSC([C@@H]2C(=O)NO)(C)C

InChI

InChI=1S/C17H23N3O4S2/c1-4-5-10-18-13-6-8-14(9-7-13)26(23,24)20-11-12-25-17(2,3)15(20)16(21)19-22/h6-9,15,18,22H,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1