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

Systemtic Name: [4-[[butan-2-yl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[sec-butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[mesitylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H31NO5S2/c1-7-19(6)23(30(26,27)22-17(4)13-16(3)14-18(22)5)15-20-9-11-21(12-10-20)28-29(24,25)8-2/h9-14,19H,7-8,15H2,1-6H3