1-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[[4-chloro-3-(dimethylsulfamoyl)phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]-4-phenyl-isonipecotic acid Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-23(2)30(28,29)18-14-15(8-9-17(18)22)19(25)24-12-10-21(11-13-24,20(26)27)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,26,27)