1-[(E)-3-(phenylsulfonyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(phenylsulfonyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(benzenesulfonyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(benzenesulfonyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-besylacryloyl]proline Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/S(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15NO5S/c16-13(15-9-4-7-12(15)14(17)18)8-10-21(19,20)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2,(H,17,18)/b10-8+