ethyl (3S)-1-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-chloro-5-(dimethylsulfamoyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]nipecotic acid ethyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C17H23ClN2O5S/c1-4-25-17(22)12-6-5-9-20(11-12)16(21)14-10-13(7-8-15(14)18)26(23,24)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1