4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-1-methylsulfonyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-cyanophenyl)-1-methylsulfonylpyrrolidine-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-1-mesyl-pyrrolidine-3-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C(C1)C(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CS(=O)(=O)N1CC(C(C1)C(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N2O4S/c1-20(18,19)15-7-11(12(8-15)13(16)17)10-4-2-3-9(5-10)6-14/h2-5,11-12H,7-8H2,1H3,(H,16,17)