(2S)-1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(p-tolylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-19-10-12-22(13-11-19)31(29,30)27-16-6-9-23(27)24(28)25-17-20-7-2-3-8-21(20)18-26-14-4-5-15-26/h2-3,7-8,10-13,23H,4-6,9,14-18H2,1H3,(H,25,28)/p+1/t23-/m0/s1