2-(azepan-1-ylsulfonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(1-azepanylsulfonylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)-4-(methylthio)butyric acid Formula: C11H22N2O4S2 MolecularWeight: 310.43338

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)N1CCCCCC1

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)N1CCCCCC1

InChI

InChI=1S/C11H22N2O4S2/c1-18-9-6-10(11(14)15)12-19(16,17)13-7-4-2-3-5-8-13/h10,12H,2-9H2,1H3,(H,14,15)