(1S,2R)-2-[(2-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(2-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(2-sulfonatophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(2-sulfonatoanilino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(2-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(2-sulfonatophenyl)carbamoyl]cyclohexanecarboxylate Formula: C14H15NO6S-2 MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=C2S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17NO6S/c16-13(9-5-1-2-6-10(9)14(17)18)15-11-7-3-4-8-12(11)22(19,20)21/h3-4,7-10H,1-2,5-6H2,(H,15,16)(H,17,18)(H,19,20,21)/p-2/t9-,10+/m1/s1