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

Systemtic Name: N-(3-chloranyl-2-fluoranyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-fluoro-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-2-fluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-fluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-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/c1-28-17-7-6-14(12-18(17)29-2)30(26,27)24-10-8-13(9-11-24)20(25)23-16-5-3-4-15(21)19(16)22/h3-7,12-13H,8-11H2,1-2H3,(H,23,25)