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

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(4-butoxyphenyl)sulfonyl-4-mercapto-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-butoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)sulfonyl-4-mercapto-proline Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

InChI

InChI=1S/C15H21NO5S2/c1-2-3-8-21-11-4-6-13(7-5-11)23(19,20)16-10-12(22)9-14(16)15(17)18/h4-7,12,14,22H,2-3,8-10H2,1H3,(H,17,18)