1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-[1-(4-methoxyphenyl)-3-methyl-butyl]isonipecotamide Formula: C25H32ClFN2O4S MolecularWeight: 511.048983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClFN2O4S/c1-17(2)15-24(18-7-9-20(33-3)10-8-18)28-25(30)19-11-13-29(14-12-19)34(31,32)16-21-22(26)5-4-6-23(21)27/h4-10,17,19,24H,11-16H2,1-3H3,(H,28,30)