[(2S)-1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpyrrolidin-2-yl]azanium

Systemtic Name: [(2S)-1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpyrrolidin-2-yl]azanium Openeye Name: [(2S)-1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpyrrolidin-2-yl]ammonium CAS Name: [(2S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2-pyrrolidinyl]ammonium IUPAC Name: [(2S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]azanium Traditional Name: [(2S)-1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpyrrolidin-2-yl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCC2[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC[C@H]2[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-8-6-10(15(16)17)11(7-9(8)2)20(18,19)14-5-3-4-12(14)13/h6-7,12H,3-5,13H2,1-2H3/p+1/t12-/m0/s1