4-[4-(4-azanylbut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide hydrochloride

Systemtic Name: 4-[4-(4-azanylbut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide hydrochloride Openeye Name: 4-[4-(4-aminobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid hydrochloride CAS Name: 4-[4-(4-aminobut-2-ynoxy)phenyl]sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide hydrochloride IUPAC Name: 4-[4-(4-aminobut-2-ynoxy)phenyl]sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide hydrochloride Traditional Name: 4-[4-(4-aminobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid hydrochloride Formula: C17H24ClN3O5S2 MolecularWeight: 449.97256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S2.ClH/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18;/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21);1H