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

Systemtic Name: (2S)-4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylammonio)butanoate CAS Name: (2S)-4-methylsulfonyl-2-(1-pyrrolidinylsulfonylammonio)butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate Traditional Name: (2S)-4-mesyl-2-(pyrrolidinosulfonylammonio)butyrate Formula: C9H18N2O6S2 MolecularWeight: 314.37902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCC1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCCC1

InChI

InChI=1S/C9H18N2O6S2/c1-18(14,15)7-4-8(9(12)13)10-19(16,17)11-5-2-3-6-11/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1