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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(1-phenylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(1-phenylpropyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(1-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(1-phenylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(1-phenylpropyl)isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O3S/c1-2-21(16-7-4-3-5-8-16)25-22(27)17-11-13-26(14-12-17)30(28,29)15-18-19(23)9-6-10-20(18)24/h3-10,17,21H,2,11-15H2,1H3,(H,25,27)