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

Systemtic Name: O1-methyl O5-(4-oxidanylbutyl) 2,2-dimethyl-4-[2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Openeye Name: O5-(4-hydroxybutyl) 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-(4-hydroxybutyl) ester O1-methyl ester IUPAC Name: 5-O-(4-hydroxybutyl) 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-(4-hydroxybutyl) ester O1-methyl ester Formula: C25H39NO9S MolecularWeight: 529.64346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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