(2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-4-(methylthio)butanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-(methylthio)butyrate Formula: C11H22N2O4S2 MolecularWeight: 310.43338

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]S(=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)/t10-/m0/s1