[4-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl(p-tolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl(tosyl)amino]methyl]phenyl] ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C20H21NO6S2/c1-16-5-11-20(12-6-16)29(24,25)21(15-19-4-3-13-26-19)14-17-7-9-18(10-8-17)27-28(2,22)23/h3-13H,14-15H2,1-2H3