(phenylmethyl) 4-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl)sulfonyl-2-phenyl-butanoate

Systemtic Name: (phenylmethyl) 4-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl)sulfonyl-2-phenyl-butanoate Openeye Name: benzyl 4-(2-chloro-1,1-dimethyl-2-oxo-ethyl)sulfonyl-2-phenyl-butanoate CAS Name: 4-(1-chloro-2-methyl-1-oxopropan-2-yl)sulfonyl-2-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-chloro-2-methyl-1-oxopropan-2-yl)sulfonyl-2-phenylbutanoate Traditional Name: 4-(2-chloro-2-keto-1,1-dimethyl-ethyl)sulfonyl-2-phenyl-butyric acid benzyl ester Formula: C21H23ClO5S MolecularWeight: 422.92232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)Cl)S(=O)(=O)CCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)Cl)S(=O)(=O)CCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23ClO5S/c1-21(2,20(22)24)28(25,26)14-13-18(17-11-7-4-8-12-17)19(23)27-15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3