1-[4-(1-oxidanyl-1-oxidanylidene-2-phenyl-butan-2-yl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-oxidanyl-1-oxidanylidene-2-phenyl-butan-2-yl)phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(1-carboxy-1-phenyl-propyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-(1-hydroxy-1-oxo-2-phenylbutan-2-yl)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-hydroxy-1-oxo-2-phenylbutan-2-yl)phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(1-carboxy-1-phenyl-propyl)phenyl]sulfonylproline Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO6S/c1-2-21(20(25)26,15-7-4-3-5-8-15)16-10-12-17(13-11-16)29(27,28)22-14-6-9-18(22)19(23)24/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,23,24)(H,25,26)