2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyoctyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyoctyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[p-tolylsulfonyl-[2-(p-tolylsulfonyloxy)octyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyoctyl]amino]ethyl ester IUPAC Name: 2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyoctyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[tosyl(2-tosyloxyoctyl)amino]ethyl ester Formula: C31H41NO8S3 MolecularWeight: 651.85414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC(CN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H41NO8S3/c1-5-6-7-8-9-28(40-43(37,38)31-20-14-27(4)15-21-31)24-32(41(33,34)29-16-10-25(2)11-17-29)22-23-39-42(35,36)30-18-12-26(3)13-19-30/h10-21,28H,5-9,22-24H2,1-4H3