N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN2O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)24-11-9-14(10-12-24)20(25)23-15-3-8-19(22)18(21)13-15/h3-8,13-14H,2,9-12H2,1H3,(H,23,25)