N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(3,4-dimethylphenyl)-5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-fluoro-benzamide CAS Name: N-(3,4-dimethylphenyl)-5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-fluoro-benzamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H27FN2O3S/c1-14-9-15(2)13-25(12-14)29(27,28)19-7-8-21(23)20(11-19)22(26)24-18-6-5-16(3)17(4)10-18/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)/t14-,15-/m1/s1