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

Systemtic Name: [4-[[butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(mesitylsulfonyl)amino]methyl]phenyl] ester Formula: C21H29NO5S2 MolecularWeight: 439.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H29NO5S2/c1-6-7-12-22(15-19-8-10-20(11-9-19)27-28(5,23)24)29(25,26)21-17(3)13-16(2)14-18(21)4/h8-11,13-14H,6-7,12,15H2,1-5H3