N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C25H33FN2O4S MolecularWeight: 476.603923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=C(C=C3)OC)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=C(C=C3)OC)F)C)C

InChI

InChI=1S/C25H33FN2O4S/c1-16-13-17(2)19(4)24(18(16)3)33(30,31)28-11-9-21(10-12-28)25(29)27(5)15-20-7-8-23(32-6)22(26)14-20/h7-8,13-14,21H,9-12,15H2,1-6H3