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

Systemtic Name: 4-(4-but-2-ynylphenyl)sulfonyl-3,3-dimethyl-N-oxidanyl-thiomorpholine-2-carboxamide Openeye Name: 4-(4-but-2-ynylphenyl)sulfonyl-3,3-dimethyl-thiomorpholine-2-carbohydroxamic acid CAS Name: 4-(4-but-2-ynylphenyl)sulfonyl-N-hydroxy-3,3-dimethyl-2-thiomorpholinecarboxamide IUPAC Name: 4-(4-but-2-ynylphenyl)sulfonyl-N-hydroxy-3,3-dimethylthiomorpholine-2-carboxamide Traditional Name: 4-(4-but-2-ynylphenyl)sulfonyl-3,3-dimethyl-thiomorpholine-2-carbohydroxamic acid Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2(C)C)C(=O)NO

Isomeric SMILES

CC#CCC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2(C)C)C(=O)NO

InChI

InChI=1S/C17H22N2O4S2/c1-4-5-6-13-7-9-14(10-8-13)25(22,23)19-11-12-24-15(16(20)18-21)17(19,2)3/h7-10,15,21H,6,11-12H2,1-3H3,(H,18,20)