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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[3-(1-pyrrolidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(3-pyrrolidinopropyl)isonipecotamide Formula: C20H29ClFN3O3S MolecularWeight: 445.978963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H29ClFN3O3S/c21-18-5-3-6-19(22)17(18)15-29(27,28)25-13-7-16(8-14-25)20(26)23-9-4-12-24-10-1-2-11-24/h3,5-6,16H,1-2,4,7-15H2,(H,23,26)