(2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-oxidanyl-propanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-hydroxy-propanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-3-hydroxypropanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-hydroxypropanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-hydroxy-propionate Formula: C9H18N2O5S MolecularWeight: 266.31462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH2+][C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C9H18N2O5S/c12-7-8(9(13)14)10-17(15,16)11-5-3-1-2-4-6-11/h8,10,12H,1-7H2,(H,13,14)/t8-/m0/s1