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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C19H20ClFN2O3S2 MolecularWeight: 442.955103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H20ClFN2O3S2/c1-27-15-3-5-16(6-4-15)28(25,26)23-10-8-13(9-11-23)19(24)22-14-2-7-18(21)17(20)12-14/h2-7,12-13H,8-11H2,1H3,(H,22,24)