1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C24H30F2N3O3S+ MolecularWeight: 478.575106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)C4=CC=CC=C4

InChI

InChI=1S/C24H29F2N3O3S/c25-20-8-9-21(26)23(16-20)33(31,32)29-14-10-19(11-15-29)24(30)27-17-22(28-12-4-5-13-28)18-6-2-1-3-7-18/h1-3,6-9,16,19,22H,4-5,10-15,17H2,(H,27,30)/p+1/t22-/m1/s1