(1S,2R)-2-[(3-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(3-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-sulfonatophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(3-sulfonatoanilino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-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=C2)S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17NO6S/c16-13(11-6-1-2-7-12(11)14(17)18)15-9-4-3-5-10(8-9)22(19,20)21/h3-5,8,11-12H,1-2,6-7H2,(H,15,16)(H,17,18)(H,19,20,21)/p-2/t11-,12+/m1/s1