[4-[[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[tetrahydrofuran-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[mesitylsulfonyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S2/c1-16-12-17(2)22(18(3)13-16)31(26,27)23(15-21-6-5-11-28-21)14-19-7-9-20(10-8-19)29-30(4,24)25/h7-10,12-13,21H,5-6,11,14-15H2,1-4H3