[1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxy-butan-2-yl] methanesulfonate

Systemtic Name: [1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxy-butan-2-yl] methanesulfonate Openeye Name: [2-methylsulfonyloxy-3-(p-tolylsulfonylamino)-1-[(p-tolylsulfonylamino)methyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxybutan-2-yl] ester IUPAC Name: [1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxybutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-methylsulfonyloxy-3-(tosylamino)-1-[(tosylamino)methyl]propyl] ester Formula: C20H28N2O10S4 MolecularWeight: 584.70372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(CNS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(CNS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C20H28N2O10S4/c1-15-5-9-17(10-6-15)35(27,28)21-13-19(31-33(3,23)24)20(32-34(4,25)26)14-22-36(29,30)18-11-7-16(2)8-12-18/h5-12,19-22H,13-14H2,1-4H3