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

Systemtic Name: [4-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C20H21NO7S2 MolecularWeight: 451.51324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C20H21NO7S2/c1-26-17-9-11-20(12-10-17)30(24,25)21(15-19-4-3-13-27-19)14-16-5-7-18(8-6-16)28-29(2,22)23/h3-13H,14-15H2,1-2H3