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

Systemtic Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C19H25NO7S2 MolecularWeight: 443.5343

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S2/c1-4-28(21,22)27-18-7-5-6-16(14-18)15-20(12-13-25-2)29(23,24)19-10-8-17(26-3)9-11-19/h5-11,14H,4,12-13,15H2,1-3H3