N-butyl-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-phenyl-piperidine-4-carboxamide

Systemtic Name: N-butyl-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-phenyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-phenyl-piperidine-4-carboxamide CAS Name: N-butyl-1-(3-chloro-4-fluorophenyl)sulfonyl-N-phenyl-4-piperidinecarboxamide IUPAC Name: N-butyl-1-(3-chloro-4-fluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide Traditional Name: N-butyl-1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-phenyl-isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H26ClFN2O3S/c1-2-3-13-26(18-7-5-4-6-8-18)22(27)17-11-14-25(15-12-17)30(28,29)19-9-10-21(24)20(23)16-19/h4-10,16-17H,2-3,11-15H2,1H3