1-(4-phenoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-phenoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-phenoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-(4-phenoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-phenoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-(4-phenoxyphenyl)sulfonyl-proline Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C17H17NO5S2/c19-17(20)16-10-14(24)11-18(16)25(21,22)15-8-6-13(7-9-15)23-12-4-2-1-3-5-12/h1-9,14,16,24H,10-11H2,(H,19,20)