N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)Cl)OC

InChI

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