1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(3-morpholinopropyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[3-(4-morpholinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(3-morpholinopropyl)isonipecotamide Formula: C20H29ClFN3O4S MolecularWeight: 461.978363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2CCOCC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2CCOCC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H29ClFN3O4S/c21-18-3-1-4-19(22)17(18)15-30(27,28)25-9-5-16(6-10-25)20(26)23-7-2-8-24-11-13-29-14-12-24/h1,3-4,16H,2,5-15H2,(H,23,26)