N-(2,4-dimethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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