(2-cyano-4-fluoranyl-pyrrolidin-1-yl)carbonyloxycarbonyl-methyl-[(4-phenylphenyl)methylsulfonyl]-propyl-azanium

Systemtic Name: (2-cyano-4-fluoranyl-pyrrolidin-1-yl)carbonyloxycarbonyl-methyl-[(4-phenylphenyl)methylsulfonyl]-propyl-azanium Openeye Name: (2-cyano-4-fluoro-pyrrolidine-1-carbonyl)oxycarbonyl-methyl-[(4-phenylphenyl)methylsulfonyl]-propyl-ammonium CAS Name: [[(2-cyano-4-fluoro-1-pyrrolidinyl)-oxomethoxy]-oxomethyl]-methyl-[(4-phenylphenyl)methylsulfonyl]-propylammonium IUPAC Name: (2-cyano-4-fluoropyrrolidine-1-carbonyl)oxycarbonyl-methyl-[(4-phenylphenyl)methylsulfonyl]-propylazanium Traditional Name: (2-cyano-4-fluoro-pyrrolidine-1-carbonyl)oxycarbonyl-methyl-(4-phenylbenzyl)sulfonyl-propyl-ammonium Formula: C24H27FN3O5S+ MolecularWeight: 488.551683

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C(=O)OC(=O)N1CC(CC1C#N)F)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+](C)(C(=O)OC(=O)N1CC(CC1C#N)F)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27FN3O5S/c1-3-13-28(2,24(30)33-23(29)27-16-21(25)14-22(27)15-26)34(31,32)17-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,21-22H,3,13-14,16-17H2,1-2H3/q+1