(1S,2R)-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[4-(2-pyridinylsulfamoyl)anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C19H21N3O5S/c23-18(15-5-1-2-6-16(15)19(24)25)21-13-8-10-14(11-9-13)28(26,27)22-17-7-3-4-12-20-17/h3-4,7-12,15-16H,1-2,5-6H2,(H,20,22)(H,21,23)(H,24,25)/t15-,16+/m1/s1