N-(2,5-dimethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C21H25FN2O6S MolecularWeight: 452.496403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H25FN2O6S/c1-28-16-7-9-18(29-2)17(12-16)23-21(25)14-5-4-10-24(13-14)31(26,27)20-11-15(22)6-8-19(20)30-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25)