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

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylsulfonylbutanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-mesyl-butyrate Formula: C11H22N2O6S2 MolecularWeight: 342.43218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCCC1

InChI

InChI=1S/C11H22N2O6S2/c1-20(16,17)9-6-10(11(14)15)12-21(18,19)13-7-4-2-3-5-8-13/h10,12H,2-9H2,1H3,(H,14,15)/t10-/m0/s1