(1S,2R)-2-[(4-sulfophenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(4-sulfophenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(4-sulfophenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-(4-sulfoanilino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(4-sulfophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(4-sulfophenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c16-13(11-3-1-2-4-12(11)14(17)18)15-9-5-7-10(8-6-9)22(19,20)21/h5-8,11-12H,1-4H2,(H,15,16)(H,17,18)(H,19,20,21)/t11-,12+/m1/s1