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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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