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

Systemtic Name: [4-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(mesitylsulfonyl)amino]methyl]phenyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5S2/c1-16(2)11-12-23(15-20-7-9-21(10-8-20)28-29(6,24)25)30(26,27)22-18(4)13-17(3)14-19(22)5/h7-10,13-14,16H,11-12,15H2,1-6H3