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

Systemtic Name: N-(5-chloranyl-2-fluoranyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-fluoro-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-fluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-fluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-fluoro-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)F)OC

InChI

InChI=1S/C20H22ClFN2O5S/c1-28-18-6-4-15(12-19(18)29-2)30(26,27)24-9-7-13(8-10-24)20(25)23-17-11-14(21)3-5-16(17)22/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)