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

Systemtic Name: (1S,2R)-2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[4-(phenylsulfamoyl)anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-19(17-8-4-5-9-18(17)20(24)25)21-14-10-12-16(13-11-14)28(26,27)22-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,22H,4-5,8-9H2,(H,21,23)(H,24,25)/t17-,18+/m1/s1