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

Systemtic Name: [4-[[(4-methylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[p-tolylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-methylphenyl)sulfonyl-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[tetrahydrofurfuryl(tosyl)amino]methyl]phenyl] ester Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C20H25NO6S2/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/h5-12,19H,3-4,13-15H2,1-2H3