(1S,2R)-2-(2-sulfonatoethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(2-sulfonatoethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(2-sulfonatoethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(2-sulfonatoethylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(2-sulfonatoethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(2-sulfonatoethylcarbamoyl)cyclohexanecarboxylate Formula: C10H15NO6S-2 MolecularWeight: 277.2942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCS(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCS(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H17NO6S/c12-9(11-5-6-18(15,16)17)7-3-1-2-4-8(7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)(H,15,16,17)/p-2/t7-,8+/m1/s1