O1-methyl O5-(3-oxidanylpropyl) 2,2-dimethyl-4-[2-methyl-2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate

Systemtic Name: O1-methyl O5-(3-oxidanylpropyl) 2,2-dimethyl-4-[2-methyl-2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Openeye Name: O5-(3-hydroxypropyl) O1-methyl 2,2-dimethyl-4-[2-methyl-2-(p-tolylsulfonyloxymethylcarbamoyl)butyl]pentanedioate CAS Name: 2,2-dimethyl-4-[2-methyl-2-[[(4-methylphenyl)sulfonyloxymethylamino]-oxomethyl]butyl]pentanedioic acid O5-(3-hydroxypropyl) ester O1-methyl ester IUPAC Name: 5-O-(3-hydroxypropyl) 1-O-methyl 2,2-dimethyl-4-[2-methyl-2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Traditional Name: 2,2-dimethyl-4-[2-methyl-2-(tosyloxymethylcarbamoyl)butyl]glutaric acid O5-(3-hydroxypropyl) ester O1-methyl ester Formula: C25H39NO9S MolecularWeight: 529.64346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO9S/c1-7-25(5,22(29)26-17-35-36(31,32)20-11-9-18(2)10-12-20)16-19(21(28)34-14-8-13-27)15-24(3,4)23(30)33-6/h9-12,19,27H,7-8,13-17H2,1-6H3,(H,26,29)