(3S)-N-[4-chloranyl-3-(diethylsulfamoyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-chloranyl-3-(diethylsulfamoyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-mesyl-nipecotamide Formula: C17H26ClN3O5S2 MolecularWeight: 451.98844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H26ClN3O5S2/c1-4-20(5-2)28(25,26)16-11-14(8-9-15(16)18)19-17(22)13-7-6-10-21(12-13)27(3,23)24/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,22)/t13-/m0/s1