(2S)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[[(3S)-3-methyl-1-piperidyl]sulfonylammonio]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3S)-3-methyl-1-piperidinyl]sulfonylammonio]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-[[(3S)-3-methylpiperidino]sulfonylammonio]butyrate Formula: C11H22N2O6S2 MolecularWeight: 342.43218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)[NH2+]C(CCS(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)[NH2+][C@@H](CCS(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C11H22N2O6S2/c1-9-4-3-6-13(8-9)21(18,19)12-10(11(14)15)5-7-20(2,16)17/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9-,10-/m0/s1