[2-methoxy-5-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(p-tolylsulfonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(tosyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C21H29NO6S2/c1-6-29(23,24)28-21-13-18(9-12-20(21)27-5)15-22(14-16(2)3)30(25,26)19-10-7-17(4)8-11-19/h7-13,16H,6,14-15H2,1-5H3