[3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(p-tolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(tosyl)amino]methyl]phenyl] ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S2/c1-5-27(22,23)26-19-8-6-7-18(13-19)15-21(14-16(2)3)28(24,25)20-11-9-17(4)10-12-20/h6-13,16H,5,14-15H2,1-4H3