6-(2-azanyl-2-oxidanylidene-ethyl)-2,2-dimethyl-N-oxidanyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)-2,2-dimethyl-N-oxidanyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene Openeye Name: but-2-ynoxybenzene; 2-[5-(hydroxycarbamoyl)-6,6-dimethyl-4-sulfonyl-thiomorpholin-4-ium-2-yl]acetamide CAS Name: 6-(2-amino-2-oxoethyl)-N-hydroxy-2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxamide; but-2-ynoxybenzene IUPAC Name: 6-(2-amino-2-oxoethyl)-N-hydroxy-2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene Traditional Name: but-2-ynoxybenzene; 2-[5-(hydroxycarbamoyl)-6,6-dimethyl-4-sulfonyl-thiomorpholin-4-ium-2-yl]acetamide Formula: C19H26N3O6S2+ MolecularWeight: 456.55624

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CC(=O)N)C(=O)NO)C

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CC(=O)N)C(=O)NO)C

InChI

InChI=1S/C10H10O.C9H15N3O5S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-9(2)7(8(14)11-15)12(19(16)17)4-5(18-9)3-6(10)13/h4-8H,9H2,1H3;5,7H,3-4H2,1-2H3,(H3-,10,11,13,14,15)/p+1