[4-[(4-methylphenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-methylphenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 4-methylbenzenesulfonate Openeye Name: [4-(p-tolylsulfonyloxycarbamoyloxy)butoxycarbonylamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[4-[[(4-methylphenyl)sulfonyloxyamino]-oxomethoxy]butoxy-oxomethyl]amino] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(tosyloxycarbamoyloxy)butoxycarbonylamino] ester Formula: C20H24N2O10S2 MolecularWeight: 516.54196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCCCCOC(=O)NOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCCCCOC(=O)NOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O10S2/c1-15-5-9-17(10-6-15)33(25,26)31-21-19(23)29-13-3-4-14-30-20(24)22-32-34(27,28)18-11-7-16(2)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)