1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]isonipecotamide Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O4S/c1-15-3-2-4-17(13-15)29-12-9-24-21(26)16-7-10-25(11-8-16)30(27,28)18-5-6-20(23)19(22)14-18/h2-6,13-14,16H,7-12H2,1H3,(H,24,26)