O5-(2-hydroxyethyl) O1-methyl 2,2-dimethyl-4-[2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate

Systemtic Name: O5-(2-hydroxyethyl) O1-methyl 2,2-dimethyl-4-[2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Openeye Name: O5-(2-hydroxyethyl) O1-methyl 2,2-dimethyl-4-[2-(p-tolylsulfonyloxymethylcarbamoyl)butyl]pentanedioate CAS Name: 2,2-dimethyl-4-[2-[[(4-methylphenyl)sulfonyloxymethylamino]-oxomethyl]butyl]pentanedioic acid O5-(2-hydroxyethyl) ester O1-methyl ester IUPAC Name: 5-O-(2-hydroxyethyl) 1-O-methyl 2,2-dimethyl-4-[2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Traditional Name: 2,2-dimethyl-4-[2-(tosyloxymethylcarbamoyl)butyl]glutaric acid O5-(2-hydroxyethyl) ester O1-methyl ester Formula: C23H35NO9S MolecularWeight: 501.5903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)OC)C(=O)OCCO)C(=O)NCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)OC)C(=O)OCCO)C(=O)NCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C23H35NO9S/c1-6-17(13-18(21(27)32-12-11-25)14-23(3,4)22(28)31-5)20(26)24-15-33-34(29,30)19-9-7-16(2)8-10-19/h7-10,17-18,25H,6,11-15H2,1-5H3,(H,24,26)