1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-1-(3,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1-(3,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C23H26F2N2O3S2 MolecularWeight: 480.590946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C23H26F2N2O3S2/c24-19-10-9-18(15-20(19)25)32(29,30)27-13-11-16(12-14-27)23(28)26-21-7-3-4-8-22(21)31-17-5-1-2-6-17/h3-4,7-10,15-17H,1-2,5-6,11-14H2,(H,26,28)