3-[(3-cyanophenyl)methylsulfonyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(3-cyanophenyl)methylsulfonyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[(3-cyanophenyl)methylsulfonyl]thiazolidine-4-carboxylic acid CAS Name: 3-[(3-cyanophenyl)methylsulfonyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[(3-cyanophenyl)methylsulfonyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-cyanobenzyl)sulfonylthiazolidine-4-carboxylic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)S(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

C1C(N(CS1)S(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C12H12N2O4S2/c13-5-9-2-1-3-10(4-9)7-20(17,18)14-8-19-6-11(14)12(15)16/h1-4,11H,6-8H2,(H,15,16)