1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]isonipecotamide Formula: C25H32ClFN2O5S MolecularWeight: 527.048383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C25H32ClFN2O5S/c1-3-34-23-10-9-18(16-24(23)33-2)6-5-13-28-25(30)19-11-14-29(15-12-19)35(31,32)17-20-21(26)7-4-8-22(20)27/h4,7-10,16,19H,3,5-6,11-15,17H2,1-2H3,(H,28,30)