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

Systemtic Name: [3-[[2-methoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(p-tolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(tosyl)amino]methyl]phenyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S2/c1-4-27(21,22)26-18-7-5-6-17(14-18)15-20(12-13-25-3)28(23,24)19-10-8-16(2)9-11-19/h5-11,14H,4,12-13,15H2,1-3H3