1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoranyl-5-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoranyl-5-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoro-5-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoro-5-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluoro-5-methyl-phenyl)isonipecotamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C)F)C

InChI

InChI=1S/C21H25FN2O3S/c1-14-5-7-20(16(3)12-14)28(26,27)24-10-8-17(9-11-24)21(25)23-19-13-15(2)4-6-18(19)22/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)