(1R,2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[4-(2-pyrimidinylsulfamoyl)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-(2-pyrimidylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C18H19N4O5S- MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c23-16(14-4-1-2-5-15(14)17(24)25)21-12-6-8-13(9-7-12)28(26,27)22-18-19-10-3-11-20-18/h3,6-11,14-15H,1-2,4-5H2,(H,21,23)(H,24,25)(H,19,20,22)/p-1/t14-,15+/m0/s1