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

Systemtic Name: [4-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(p-tolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

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