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

Systemtic Name: O1-methyl O5-(4-oxidanylbutyl) 2,2-dimethyl-4-[2-methyl-2-[(4-methylphenyl)sulfonyloxymethylcarbamoyl]butyl]pentanedioate Openeye Name: O5-(4-hydroxybutyl) 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-(4-hydroxybutyl) ester O1-methyl ester IUPAC Name: 5-O-(4-hydroxybutyl) 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-(4-hydroxybutyl) ester O1-methyl ester Formula: C26H41NO9S MolecularWeight: 543.67004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41NO9S/c1-7-26(5,23(30)27-18-36-37(32,33)21-12-10-19(2)11-13-21)17-20(16-25(3,4)24(31)34-6)22(29)35-15-9-8-14-28/h10-13,20,28H,7-9,14-18H2,1-6H3,(H,27,30)