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

Systemtic Name: [5-[[butan-2-yl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[sec-butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[mesitylsulfonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H33NO6S2 MolecularWeight: 483.64122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6S2/c1-8-19(6)24(32(27,28)23-17(4)12-16(3)13-18(23)5)15-20-10-11-21(29-7)22(14-20)30-31(25,26)9-2/h10-14,19H,8-9,15H2,1-7H3