[2-[(4-methylphenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Openeye Name: [2-(p-tolylsulfonylamino)-2-(p-tolylsulfonyloxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tosylamino)-2-(tosyloxymethyl)butyl] ester Formula: C26H31NO8S3 MolecularWeight: 581.72124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)(COS(=O)(=O)C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)(COS(=O)(=O)C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31NO8S3/c1-5-26(27-36(28,29)23-12-6-20(2)7-13-23,18-34-37(30,31)24-14-8-21(3)9-15-24)19-35-38(32,33)25-16-10-22(4)11-17-25/h6-17,27H,5,18-19H2,1-4H3