8-(4-chlorophenyl)-2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-azetidin-1-yl]octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-azetidin-1-yl]octanoic acid Openeye Name: 2-(2-benzylsulfonyl-4-oxo-azetidin-1-yl)-8-(4-chlorophenyl)octanoic acid CAS Name: 8-(4-chlorophenyl)-2-[2-oxo-4-(phenylmethyl)sulfonyl-1-azetidinyl]octanoic acid IUPAC Name: 2-(2-benzylsulfonyl-4-oxoazetidin-1-yl)-8-(4-chlorophenyl)octanoic acid Traditional Name: 2-(2-benzylsulfonyl-4-keto-azetidin-1-yl)-8-(4-chlorophenyl)caprylic acid Formula: C24H28ClNO5S MolecularWeight: 478.00082

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(C1=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28ClNO5S/c25-20-14-12-18(13-15-20)8-4-1-2-7-11-21(24(28)29)26-22(27)16-23(26)32(30,31)17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,21,23H,1-2,4,7-8,11,16-17H2,(H,28,29)