[4-[[3-methoxypropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[mesitylsulfonyl(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S2/c1-16-13-17(2)21(18(3)14-16)30(25,26)22(11-6-12-27-4)15-19-7-9-20(10-8-19)28-29(5,23)24/h7-10,13-14H,6,11-12,15H2,1-5H3