(2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate Formula: C13H16NO4S- MolecularWeight: 282.33544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C

InChI

InChI=1S/C13H17NO4S/c1-9-5-6-11(8-10(9)2)19(17,18)14-7-3-4-12(14)13(15)16/h5-6,8,12H,3-4,7H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1