N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H22ClFN2O5S/c1-28-18-11-19(29-2)17(10-16(18)21)23-20(25)13-4-3-9-24(12-13)30(26,27)15-7-5-14(22)6-8-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,25)