(2R)-2-acetamido-3-nitrososulfanyl-propanoic acid; methane; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: (2R)-2-acetamido-3-nitrososulfanyl-propanoic acid; methane; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: (2R)-2-acetamido-3-nitrososulfanyl-propanoic acid; methane; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: (2R)-2-acetamido-3-(nitrosothio)propanoic acid; methane; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: (2R)-2-acetamido-3-nitrososulfanylpropanoic acid; methane; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: (2R)-2-acetamido-3-(nitrosothio)propionic acid; acetazolamide; methane Formula: C10H18N6O7S3 MolecularWeight: 430.48092

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)NC1=NN=C(S1)S(=O)(=O)N.CC(=O)NC(CSN=O)C(=O)O

Isomeric SMILES

C.CC(=O)NC1=NN=C(S1)S(=O)(=O)N.CC(=O)N[C@@H](CSN=O)C(=O)O

InChI

InChI=1S/C5H8N2O4S.C4H6N4O3S2.CH4/c1-3(8)6-4(5(9)10)2-12-7-11;1-2(9)6-3-7-8-4(12-3)13(5,10)11;/h4H,2H2,1H3,(H,6,8)(H,9,10);1H3,(H2,5,10,11)(H,6,7,9);1H4/t4-;;/m0../s1